4-chloro-N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide
Chemical Structure Depiction of
4-chloro-N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide
4-chloro-N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide
Compound characteristics
| Compound ID: | P895-0218 |
| Compound Name: | 4-chloro-N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide |
| Molecular Weight: | 409.89 |
| Molecular Formula: | C21 H16 Cl N3 O2 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(ccc12)NC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5921 |
| logD: | 4.5919 |
| logSw: | -4.6647 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.541 |
| InChI Key: | KDQPPZCLMNKCAI-UHFFFAOYSA-N |