N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C756-0185 |
| Compound Name: | N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 452.62 |
| Molecular Formula: | C25 H32 N4 O2 S |
| Smiles: | C(CNC(CN1C(CCSc2ccccc12)=O)=O)CN1CCN(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2665 |
| logD: | 1.4468 |
| logSw: | -2.703 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.786 |
| InChI Key: | WFMXRNZNYKWRAG-UHFFFAOYSA-N |