N-cyclopentyl-4-oxo-N-[(thiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-cyclopentyl-4-oxo-N-[(thiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-cyclopentyl-4-oxo-N-[(thiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2708 |
| Compound Name: | N-cyclopentyl-4-oxo-N-[(thiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 422.59 |
| Molecular Formula: | C19 H22 N2 O3 S3 |
| Smiles: | C1CCC(C1)N(Cc1cccs1)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6839 |
| logD: | 3.6837 |
| logSw: | -3.9546 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.161 |
| InChI Key: | PAQIBDLUKAAICN-UHFFFAOYSA-N |