2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(propan-2-yl)acetamide
2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | G640-0174 |
| Compound Name: | 2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(propan-2-yl)acetamide |
| Molecular Weight: | 411.54 |
| Molecular Formula: | C18 H25 N3 O4 S2 |
| Smiles: | CC(C)NC(CN1C(CCSc2ccc(cc12)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9897 |
| logD: | 1.9897 |
| logSw: | -2.8512 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.744 |
| InChI Key: | CYMVDMTXTWIMMC-UHFFFAOYSA-N |