AB52798
440627-14-5 | 11-Oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB52798
ChemicalName
11-Oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid
CasNumber
440627-14-5
MolecularFormula
C14H9NO3S
MolecularWeight
271.2912
MdlNumber
MFCD03019857
Smiles
OC(=O)c1ccc2c(c1)NC(=O)c1c(S2)cccc1
Complexity
387
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
2.4
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CatalogNumber: AB52798
ChemicalName: 11-Oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid
CasNumber: 440627-14-5
MolecularFormula: C14H9NO3S
MolecularWeight: 271.2912
MdlNumber: MFCD03019857
Smiles: OC(=O)c1ccc2c(c1)NC(=O)c1c(S2)cccc1
Complexity: 387
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AB52798
ChemicalName:
11-Oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid
CasNumber:
440627-14-5
MolecularFormula:
C14H9NO3S
MolecularWeight:
271.2912
MdlNumber:
MFCD03019857
Smiles:
OC(=O)c1ccc2c(c1)NC(=O)c1c(S2)cccc1
Complexity:
387
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=S1(=O)OCC2(CO1)CC2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
O=S1(=O)OCC2(CO1)CC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc2occc2c(c1)C(=O)OC
Complexity: 241
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
__
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
COc1cc2occc2c(c1)C(=O)OC
Complexity:
241
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.1
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MdlNumber: __
Smiles: Brc1cnc(c(n1)C)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Brc1cnc(c(n1)C)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__