N-[(5-bromo-2-methoxyphenyl)methyl]-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide
Compound characteristics
| Compound ID: | E523-0288F |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide |
| Molecular Weight: | 484.37 |
| Molecular Formula: | C22 H18 Br N3 O3 S |
| Smiles: | COc1ccc(cc1CNC(CN1C(c2ccccc2Sc2c1cccn2)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.8911 |
| logD: | 3.8911 |
| logSw: | -3.9688 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.555 |
| InChI Key: | HLWGJDQRBQHJMC-UHFFFAOYSA-N |