N-(5-chloro-2-methoxyphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
N-(5-chloro-2-methoxyphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | G290-0110 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide |
| Molecular Weight: | 425.89 |
| Molecular Formula: | C21 H16 Cl N3 O3 S |
| Smiles: | COc1ccc(cc1NC(CN1C(c2cccnc2Sc2ccccc12)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9385 |
| logD: | 3.9343 |
| logSw: | -4.2962 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.535 |
| InChI Key: | JETQFHBTDFJHKJ-UHFFFAOYSA-N |