N-[(2,3-dimethoxyphenyl)methyl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-[(2,3-dimethoxyphenyl)methyl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
N-[(2,3-dimethoxyphenyl)methyl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | G290-0190 |
| Compound Name: | N-[(2,3-dimethoxyphenyl)methyl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C23 H21 N3 O4 S |
| Smiles: | COc1cccc(CNC(CN2C(c3cccnc3Sc3ccccc23)=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 3.4043 |
| logD: | 3.4043 |
| logSw: | -3.7927 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.272 |
| InChI Key: | MQWYYTHARUFJLJ-UHFFFAOYSA-N |