N-(2,3-dimethylphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide
N-(2,3-dimethylphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide
Compound characteristics
| Compound ID: | E523-0101 |
| Compound Name: | N-(2,3-dimethylphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide |
| Molecular Weight: | 389.47 |
| Molecular Formula: | C22 H19 N3 O2 S |
| Smiles: | Cc1cccc(c1C)NC(CN1C(c2ccccc2Sc2c1cccn2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0506 |
| logD: | 4.0506 |
| logSw: | -4.1648 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.905 |
| InChI Key: | XWLBVDKMBQUQKL-UHFFFAOYSA-N |