N-(3-chloro-4-fluorophenyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(3-chloro-4-fluorophenyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1796 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 400.88 |
| Molecular Formula: | C16 H14 Cl F N2 O3 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(Nc1ccc(c(c1)[Cl])F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8096 |
| logD: | 1.3682 |
| logSw: | -3.9956 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.097 |
| InChI Key: | ZGQSSVWRWZKLMS-SECBINFHSA-N |