N-(4-chloro-2-fluorophenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
N-(4-chloro-2-fluorophenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Compound characteristics
| Compound ID: | C798-1130 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide |
| Molecular Weight: | 441.91 |
| Molecular Formula: | C22 H17 Cl F N3 O2 S |
| Smiles: | C(CC(Nc1ccc(cc1F)[Cl])=O)CN1C(c2cccnc2Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1309 |
| logD: | 4.1155 |
| logSw: | -4.4756 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.883 |
| InChI Key: | WIFVJTCXQUNDAX-UHFFFAOYSA-N |