AB27970
252017-04-2 | 4-[[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-oxopropyl]amino]phenyl]sulfonyl]-N,N-dimethyl-benzamide
Manufacturer: A2B Chem
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CatalogNumber
AB27970
ChemicalName
4-[[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-oxopropyl]amino]phenyl]sulfonyl]-N,N-dimethyl-benzamide
CasNumber
252017-04-2
MolecularFormula
C19H18ClF3N2O5S
MolecularWeight
478.8698
MdlNumber
MFCD25976792
Smiles
CN(C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(c(c1)Cl)NC(=O)[C@](C(F)(F)F)(O)C)C
Complexity
778
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
31
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
2.7
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CatalogNumber: AB27970
ChemicalName: 4-[[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-oxopropyl]amino]phenyl]sulfonyl]-N,N-dimethyl-benzamide
CasNumber: 252017-04-2
MolecularFormula: C19H18ClF3N2O5S
MolecularWeight: 478.8698
MdlNumber: MFCD25976792
Smiles: CN(C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(c(c1)Cl)NC(=O)[C@](C(F)(F)F)(O)C)C
Complexity: 778
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 2.7
CatalogNumber:
AB27970
ChemicalName:
4-[[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-oxopropyl]amino]phenyl]sulfonyl]-N,N-dimethyl-benzamide
CasNumber:
252017-04-2
MolecularFormula:
C19H18ClF3N2O5S
MolecularWeight:
478.8698
MdlNumber:
MFCD25976792
Smiles:
CN(C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(c(c1)Cl)NC(=O)[C@](C(F)(F)F)(O)C)C
Complexity:
778
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1C=CC(=O)C(O1)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1C=CC(=O)C(O1)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)N1C(=S)C(=N)N(C1=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)N1C(=S)C(=N)N(C1=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB27975
ChemicalName: 4-Chloro-2,6-difluorobenzyl alcohol
CasNumber: 252004-50-5
MolecularFormula: C7H5ClF2O
MolecularWeight: 178.56380639999998
MdlNumber: MFCD03095327
Smiles: OCc1c(F)cc(cc1F)Cl
Complexity: 122
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AB27975
ChemicalName:
4-Chloro-2,6-difluorobenzyl alcohol
CasNumber:
252004-50-5
MolecularFormula:
C7H5ClF2O
MolecularWeight:
178.56380639999998
MdlNumber:
MFCD03095327
Smiles:
OCc1c(F)cc(cc1F)Cl
Complexity:
122
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.9