N-(3-chloro-2-methylphenyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide
N-(3-chloro-2-methylphenyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide
Compound characteristics
| Compound ID: | E523-0406 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide |
| Molecular Weight: | 423.92 |
| Molecular Formula: | C22 H18 Cl N3 O2 S |
| Smiles: | Cc1c(cccc1[Cl])NC(CCN1C(c2ccccc2Sc2c1cccn2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.304 |
| logD: | 4.3023 |
| logSw: | -4.4278 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.883 |
| InChI Key: | VPEJXBPOSBVVNS-UHFFFAOYSA-N |