N-(5-chloro-2-methoxyphenyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide
N-(5-chloro-2-methoxyphenyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide
Compound characteristics
| Compound ID: | E523-0454 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C22 H18 Cl N3 O3 S |
| Smiles: | COc1ccc(cc1NC(CCN1C(c2ccccc2Sc2c1cccn2)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7495 |
| logD: | 3.7223 |
| logSw: | -4.1926 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.513 |
| InChI Key: | QGRLQASYMFNVLV-UHFFFAOYSA-N |