5-acetyl-N-[2-(3-methylthiophen-2-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-[2-(3-methylthiophen-2-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-[2-(3-methylthiophen-2-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0347 |
| Compound Name: | 5-acetyl-N-[2-(3-methylthiophen-2-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 410.57 |
| Molecular Formula: | C18 H22 N2 O3 S3 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(NCCc1c(C)ccs1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.739 |
| logD: | 3.7389 |
| logSw: | -3.9049 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.24 |
| InChI Key: | KXLIHAZVUPAUFM-UHFFFAOYSA-N |