N-(3-chloro-4-fluorophenyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(3-chloro-4-fluorophenyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1588 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-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: | CC1CC(Nc2cc(ccc2S1)S(Nc1ccc(c(c1)[Cl])F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6044 |
| logD: | 1.163 |
| logSw: | -3.644 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.04 |
| InChI Key: | HGGHCRDMBHKNBU-SECBINFHSA-N |