N-(4-bromo-2-methylphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
N-(4-bromo-2-methylphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | C798-1096 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide |
| Molecular Weight: | 454.34 |
| Molecular Formula: | C21 H16 Br N3 O2 S |
| Smiles: | Cc1cc(ccc1NC(CN1C(c2cccnc2Sc2ccccc12)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.5038 |
| logD: | 4.5036 |
| logSw: | -4.2694 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.905 |
| InChI Key: | HSBJOBDDLCZXDN-UHFFFAOYSA-N |