N-(2-chloro-4,6-dimethoxyphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-(2-chloro-4,6-dimethoxyphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
N-(2-chloro-4,6-dimethoxyphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | C798-1079 |
| Compound Name: | N-(2-chloro-4,6-dimethoxyphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide |
| Molecular Weight: | 455.92 |
| Molecular Formula: | C22 H18 Cl N3 O4 S |
| Smiles: | COc1cc(c(c(c1)[Cl])NC(CN1C(c2cccnc2Sc2ccccc12)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6551 |
| logD: | 3.6462 |
| logSw: | -3.9835 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.381 |
| InChI Key: | FKQZHMHUTMSPKK-UHFFFAOYSA-N |