N-{3-[benzyl(ethyl)amino]propyl}-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-{3-[benzyl(ethyl)amino]propyl}-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-{3-[benzyl(ethyl)amino]propyl}-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C756-0175 |
| Compound Name: | N-{3-[benzyl(ethyl)amino]propyl}-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 411.57 |
| Molecular Formula: | C23 H29 N3 O2 S |
| Smiles: | CCN(CCCNC(CN1C(CCSc2ccccc12)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0074 |
| logD: | 1.3604 |
| logSw: | -3.3679 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.949 |
| InChI Key: | SOIZUPCWIICNID-UHFFFAOYSA-N |