AH51130
82964-04-3 | Tolrestat
Manufacturer: A2B Chem
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CatalogNumber
AH51130
ChemicalName
Tolrestat
CasNumber
82964-04-3
MolecularFormula
C16H14F3NO3S
MolecularWeight
357.3475
MdlNumber
MFCD00864170
Smiles
COc1ccc2c(c1C(F)(F)F)cccc2C(=S)N(CC(=O)O)C
Complexity
486
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.7
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CatalogNumber: AH51130
ChemicalName: Tolrestat
CasNumber: 82964-04-3
MolecularFormula: C16H14F3NO3S
MolecularWeight: 357.3475
MdlNumber: MFCD00864170
Smiles: COc1ccc2c(c1C(F)(F)F)cccc2C(=S)N(CC(=O)O)C
Complexity: 486
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.7
CatalogNumber:
AH51130
ChemicalName:
Tolrestat
CasNumber:
82964-04-3
MolecularFormula:
C16H14F3NO3S
MolecularWeight:
357.3475
MdlNumber:
MFCD00864170
Smiles:
COc1ccc2c(c1C(F)(F)F)cccc2C(=S)N(CC(=O)O)C
Complexity:
486
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=N)SCc1ccc(s1)CSC(=N)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
NC(=N)SCc1ccc(s1)CSC(=N)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H]1COC(=N1)Nc1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)OCc1nccs1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@H]1COC(=N1)Nc1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)OCc1nccs1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__