N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C756-0174 |
| Compound Name: | N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 468.62 |
| Molecular Formula: | C25 H32 N4 O3 S |
| Smiles: | COc1ccc(cc1)N1CCN(CCCNC(CN2C(CCSc3ccccc23)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.6893 |
| logD: | 2.1032 |
| logSw: | -3.1632 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.049 |
| InChI Key: | QPMCGPFKWDIRMS-UHFFFAOYSA-N |