4-oxo-N-({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
4-oxo-N-({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
4-oxo-N-({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2843 |
| Compound Name: | 4-oxo-N-({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 465.65 |
| Molecular Formula: | C21 H27 N3 O3 S3 |
| Smiles: | C1CN(CCC1CNS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)CCc1cccs1 |
| Stereo: | ACHIRAL |
| logP: | 3.3538 |
| logD: | 1.815 |
| logSw: | -3.7038 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.878 |
| InChI Key: | PJOLRVZHPIYKBE-UHFFFAOYSA-N |