2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C798-1097 |
| Compound Name: | 2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)-N-(3,4,5-trimethoxyphenyl)acetamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C23 H21 N3 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CN1C(c2cccnc2Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0662 |
| logD: | 3.0658 |
| logSw: | -3.5419 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.58 |
| InChI Key: | NOJADFKHWKINCI-UHFFFAOYSA-N |