AD64912
106939-34-8 | 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-, ethyl ester, (3s)-
Manufacturer: A2B Chem
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CatalogNumber
AD64912
ChemicalName
7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-, ethyl ester, (3s)-
CasNumber
106939-34-8
MolecularFormula
C15H13F2NO4
MolecularWeight
309.2648
MdlNumber
MFCD09030626
Smiles
CCOC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3F)F
Complexity
524
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
7
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AD64912
ChemicalName: 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-, ethyl ester, (3s)-
CasNumber: 106939-34-8
MolecularFormula: C15H13F2NO4
MolecularWeight: 309.2648
MdlNumber: MFCD09030626
Smiles: CCOC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3F)F
Complexity: 524
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 7
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AD64912
ChemicalName:
7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-, ethyl ester, (3s)-
CasNumber:
106939-34-8
MolecularFormula:
C15H13F2NO4
MolecularWeight:
309.2648
MdlNumber:
MFCD09030626
Smiles:
CCOC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3F)F
Complexity:
524
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
7
RotatableBondCount:
3
Xlogp3:
2.2
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Smiles: Cc1ccc(cc1)c1ccc(s1)c1ccc(s1)Cl
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Smiles:
Cc1ccc(cc1)c1ccc(s1)c1ccc(s1)Cl
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Smiles: C=CCC(C(=O)OC)NC(=O)OC(C)(C)C
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Smiles:
C=CCC(C(=O)OC)NC(=O)OC(C)(C)C
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Smiles: O=C([C@@H]1CCCN2N1C(=O)[C@@H](CCC2)N1C(=O)c2c(C1=O)cccc2)OC(C)(C)C
Complexity: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
__
Smiles:
O=C([C@@H]1CCCN2N1C(=O)[C@@H](CCC2)N1C(=O)c2c(C1=O)cccc2)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__