N-butyl-4-oxo-N-[(thiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-butyl-4-oxo-N-[(thiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-butyl-4-oxo-N-[(thiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2860 |
| Compound Name: | N-butyl-4-oxo-N-[(thiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 410.57 |
| Molecular Formula: | C18 H22 N2 O3 S3 |
| Smiles: | CCCCN(Cc1cccs1)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7443 |
| logD: | 3.744 |
| logSw: | -3.6783 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.762 |
| InChI Key: | JILCIEUESPMRJV-UHFFFAOYSA-N |