N-(3-methoxyphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide
Chemical Structure Depiction of
N-(3-methoxyphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide
N-(3-methoxyphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide
Compound characteristics
| Compound ID: | E523-0078 |
| Compound Name: | N-(3-methoxyphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C21 H17 N3 O3 S |
| Smiles: | COc1cccc(c1)NC(CN1C(c2ccccc2Sc2c1cccn2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4865 |
| logD: | 3.4865 |
| logSw: | -3.8847 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.146 |
| InChI Key: | VXRVOLWHUGNYHO-UHFFFAOYSA-N |