AD24813
139051-78-8 | (2R,4S)-5,7-Dichloro-4-(3-phenylureido)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD24813
ChemicalName
(2R,4S)-5,7-Dichloro-4-(3-phenylureido)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CasNumber
139051-78-8
MolecularFormula
C17H15Cl2N3O3
MolecularWeight
380.2253
MdlNumber
MFCD00672670
Smiles
O=C(N[C@H]1C[C@@H](Nc2c1c(Cl)cc(c2)Cl)C(=O)O)Nc1ccccc1
Complexity
502
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
4
RotatableBondCount
3
UndefinedAtomStereocenterCount
2
Xlogp3
3.5
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CatalogNumber: AD24813
ChemicalName: (2R,4S)-5,7-Dichloro-4-(3-phenylureido)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CasNumber: 139051-78-8
MolecularFormula: C17H15Cl2N3O3
MolecularWeight: 380.2253
MdlNumber: MFCD00672670
Smiles: O=C(N[C@H]1C[C@@H](Nc2c1c(Cl)cc(c2)Cl)C(=O)O)Nc1ccccc1
Complexity: 502
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 4
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 2
Xlogp3: 3.5
CatalogNumber:
AD24813
ChemicalName:
(2R,4S)-5,7-Dichloro-4-(3-phenylureido)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CasNumber:
139051-78-8
MolecularFormula:
C17H15Cl2N3O3
MolecularWeight:
380.2253
MdlNumber:
MFCD00672670
Smiles:
O=C(N[C@H]1C[C@@H](Nc2c1c(Cl)cc(c2)Cl)C(=O)O)Nc1ccccc1
Complexity:
502
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
4
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
2
Xlogp3:
3.5
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Smiles: COC(=O)c1ccc(c(c1Br)OCc1ccccc1)OC
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Smiles:
COC(=O)c1ccc(c(c1Br)OCc1ccccc1)OC
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Smiles: COC(=O)c1cc2ccccc2n(c1=O)C
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Smiles:
COC(=O)c1cc2ccccc2n(c1=O)C
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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Smiles: CC(C(=O)OCCCC)Oc1cc(Cl)c(cc1Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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__
MdlNumber:
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Smiles:
CC(C(=O)OCCCC)Oc1cc(Cl)c(cc1Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__