N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C756-0216 |
| Compound Name: | N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 466.65 |
| Molecular Formula: | C26 H34 N4 O2 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CCCNC(CN2C(CCSc3ccccc23)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.7434 |
| logD: | 2.5426 |
| logSw: | -3.7893 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.205 |
| InChI Key: | ZFGYOWRVUMPOPR-UHFFFAOYSA-N |