5-acetyl-N-[(thiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-[(thiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-[(thiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0168 |
| Compound Name: | 5-acetyl-N-[(thiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 382.52 |
| Molecular Formula: | C16 H18 N2 O3 S3 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(NCc1cccs1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.966 |
| logD: | 2.9646 |
| logSw: | -3.5746 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.398 |
| InChI Key: | NABUTINBEYOVKH-UHFFFAOYSA-N |