AH50646
834903-43-4 | CID-16020046
Manufacturer: A2B Chem
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CatalogNumber
AH50646
ChemicalName
CID-16020046
CasNumber
834903-43-4
MolecularFormula
C25H19N3O4
MolecularWeight
425.4361
MdlNumber
MFCD06196075
Smiles
Oc1cccc(c1)C1N(c2ccc(cc2)C(=O)O)C(=O)c2c1c(n[nH]2)c1ccc(cc1)C
Complexity
701
Covalently-bondedUnitCount
1
HeavyAtomCount
32
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
4
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CatalogNumber: AH50646
ChemicalName: CID-16020046
CasNumber: 834903-43-4
MolecularFormula: C25H19N3O4
MolecularWeight: 425.4361
MdlNumber: MFCD06196075
Smiles: Oc1cccc(c1)C1N(c2ccc(cc2)C(=O)O)C(=O)c2c1c(n[nH]2)c1ccc(cc1)C
Complexity: 701
Covalently-bondedUnitCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 4
CatalogNumber:
AH50646
ChemicalName:
CID-16020046
CasNumber:
834903-43-4
MolecularFormula:
C25H19N3O4
MolecularWeight:
425.4361
MdlNumber:
MFCD06196075
Smiles:
Oc1cccc(c1)C1N(c2ccc(cc2)C(=O)O)C(=O)c2c1c(n[nH]2)c1ccc(cc1)C
Complexity:
701
Covalently-bondedUnitCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc2c(c3c1c(O)ccc3[C@@H]1O[C@H](C)[C@@H]([C@@]([C@H]1O)(C)O)O)oc(=O)c1c2c(OC)cc(c1)C=C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc2c(c3c1c(O)ccc3[C@@H]1O[C@H](C)[C@@H]([C@@]([C@H]1O)(C)O)O)oc(=O)c1c2c(OC)cc(c1)C=C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(cc1)C(=O)N1CCC[C@@H](C1)c1onc(n1)c1ccc(cc1)F
Complexity: 508
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(cc1)C(=O)N1CCC[C@@H](C1)c1onc(n1)c1ccc(cc1)F
Complexity:
508
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C1(CCCCC1)c1ccccc1)OCCN1CCOCC1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C1(CCCCC1)c1ccccc1)OCCN1CCOCC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__