2-chloro-4-fluoro-N-[5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl]benzamide
Chemical Structure Depiction of
2-chloro-4-fluoro-N-[5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl]benzamide
2-chloro-4-fluoro-N-[5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl]benzamide
Compound characteristics
| Compound ID: | P895-0301 |
| Compound Name: | 2-chloro-4-fluoro-N-[5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl]benzamide |
| Molecular Weight: | 441.91 |
| Molecular Formula: | C22 H17 Cl F N3 O2 S |
| Smiles: | CC(C)N1C(c2cccnc2Sc2cc(ccc12)NC(c1ccc(cc1[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.91 |
| logD: | 4.9086 |
| logSw: | -5.0607 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.536 |
| InChI Key: | SIRSOWJNTDWPJZ-UHFFFAOYSA-N |