N-(4-ethylphenyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide
Chemical Structure Depiction of
N-(4-ethylphenyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide
N-(4-ethylphenyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide
Compound characteristics
| Compound ID: | E523-0393 |
| Compound Name: | N-(4-ethylphenyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C23 H21 N3 O2 S |
| Smiles: | CCc1ccc(cc1)NC(CCN1C(c2ccccc2Sc2c1cccn2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4273 |
| logD: | 4.4273 |
| logSw: | -4.1606 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.581 |
| InChI Key: | ITCIZFMCGDIHGG-UHFFFAOYSA-N |