5-acetyl-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
5-acetyl-N-({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-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: | G269-0411 |
| Compound Name: | 5-acetyl-N-({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 493.71 |
| Molecular Formula: | C23 H31 N3 O3 S3 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(NCC1CCN(CC1)CCc1cccs1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1096 |
| logD: | 2.5709 |
| logSw: | -4.1564 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.109 |
| InChI Key: | JTMOLZSXWFVSEN-UHFFFAOYSA-N |