N-(5-chloro-2,4-dimethoxyphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide
Compound characteristics
| Compound ID: | E523-0089 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide |
| Molecular Weight: | 455.92 |
| Molecular Formula: | C22 H18 Cl N3 O4 S |
| Smiles: | COc1cc(c(cc1NC(CN1C(c2ccccc2Sc2c1cccn2)=O)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 3.7189 |
| logD: | 3.7096 |
| logSw: | -4.0071 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.165 |
| InChI Key: | AMMNTWVSGRAIEB-UHFFFAOYSA-N |