Resatorvid
ethyl (6R)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate
Molecular Identity
Resatorvid
ethyl (6R)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate
PubChem CID: 11703255
2D Structure
Properties
C15H17ClFNO4S
Molecular Formula
361.80
Molecular Weight
g/mol
361.0551
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
80.9
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
560
Complexity
SMILES
Canonical SMILES
SMILES: CCOC(=O)C1=CCCCC1S(=O)(=O)NC2=C(C=C(C=C2)F)ClIsomeric SMILES
SMILES: CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)NC2=C(C=C(C=C2)F)ClSynonyms(20)
Resatorvid243984-11-4TAK-242TAK242CLI-095H2MZ648C31DTXSID00947269ethyl (6R)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylateTAK 242ETHYL (6R)-6-((2-CHLORO-4-FLUOROPHENYL)SULFAMOYL)CYCLOHEX-1-ENE-1-CARBOXYLATEethyl (6R)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohex-1-ene-1-carboxylateresatorvidumethyl (6R)-6-((2-chloro-4-fluorophenyl)sulfamoyl)cyclohexene-1-carboxylateRefChem:178889DTXCID201375533
Data from PubChem (NCBI)
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