N-cyclohexyl-4-oxo-N-[(thiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-cyclohexyl-4-oxo-N-[(thiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-cyclohexyl-4-oxo-N-[(thiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2861 |
| Compound Name: | N-cyclohexyl-4-oxo-N-[(thiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 436.61 |
| Molecular Formula: | C20 H24 N2 O3 S3 |
| Smiles: | C1CCC(CC1)N(Cc1cccs1)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2305 |
| logD: | 4.2302 |
| logSw: | -4.1509 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.796 |
| InChI Key: | KMGOCJDONZVIMG-UHFFFAOYSA-N |