2-chloro-N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-4-fluorobenzamide
Chemical Structure Depiction of
2-chloro-N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-4-fluorobenzamide
2-chloro-N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | P895-0189 |
| Compound Name: | 2-chloro-N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-4-fluorobenzamide |
| Molecular Weight: | 427.88 |
| Molecular Formula: | C21 H15 Cl F N3 O2 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(ccc12)NC(c1ccc(cc1[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6642 |
| logD: | 4.6628 |
| logSw: | -4.9026 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.541 |
| InChI Key: | KXDSDOQMNOTMMI-UHFFFAOYSA-N |