AA84547
1627494-13-6 | 8-[(1R)-1-[(3,5-difluorophenyl)amino]ethyl]-N,N-dimethyl-2-(4-morpholinyl)-4-oxo-4H-1-benzopyran-6-carboxamide
Manufacturer: A2B Chem
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CatalogNumber
AA84547
ChemicalName
8-[(1R)-1-[(3,5-difluorophenyl)amino]ethyl]-N,N-dimethyl-2-(4-morpholinyl)-4-oxo-4H-1-benzopyran-6-carboxamide
CasNumber
1627494-13-6
MolecularFormula
C24H25F2N3O4
MolecularWeight
457.4698
MdlNumber
MFCD27987908
Smiles
Fc1cc(cc(c1)F)N[C@@H](c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C)C
Complexity
748
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
33
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
3
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CatalogNumber: AA84547
ChemicalName: 8-[(1R)-1-[(3,5-difluorophenyl)amino]ethyl]-N,N-dimethyl-2-(4-morpholinyl)-4-oxo-4H-1-benzopyran-6-carboxamide
CasNumber: 1627494-13-6
MolecularFormula: C24H25F2N3O4
MolecularWeight: 457.4698
MdlNumber: MFCD27987908
Smiles: Fc1cc(cc(c1)F)N[C@@H](c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C)C
Complexity: 748
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3
CatalogNumber:
AA84547
ChemicalName:
8-[(1R)-1-[(3,5-difluorophenyl)amino]ethyl]-N,N-dimethyl-2-(4-morpholinyl)-4-oxo-4H-1-benzopyran-6-carboxamide
CasNumber:
1627494-13-6
MolecularFormula:
C24H25F2N3O4
MolecularWeight:
457.4698
MdlNumber:
MFCD27987908
Smiles:
Fc1cc(cc(c1)F)N[C@@H](c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C)C
Complexity:
748
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
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Smiles: OCCNC(=O)CC/C=CC/C=CC/C=CC/C=CC/C=CC/C=CCC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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Smiles:
OCCNC(=O)CC/C=CC/C=CC/C=CC/C=CC/C=CC/C=CCC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)O
Complexity: 459
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 5.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)O
Complexity:
459
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
5.7
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(NCCSS(=O)(=O)C)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(NCCSS(=O)(=O)C)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__