N-(4-chloro-2-fluorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
N-(4-chloro-2-fluorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | C798-1095 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide |
| Molecular Weight: | 413.86 |
| Molecular Formula: | C20 H13 Cl F N3 O2 S |
| Smiles: | C(C(Nc1ccc(cc1F)[Cl])=O)N1C(c2cccnc2Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3075 |
| logD: | 4.2981 |
| logSw: | -4.5731 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.905 |
| InChI Key: | MNJPFGFEUYFSMW-UHFFFAOYSA-N |