N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | C798-1054 |
| Compound Name: | N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide |
| Molecular Weight: | 491.59 |
| Molecular Formula: | C26 H26 F N5 O2 S |
| Smiles: | C(CN1CCN(CC1)c1ccccc1F)NC(CN1C(c2cccnc2Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0859 |
| logD: | 3.0526 |
| logSw: | -3.6298 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.708 |
| InChI Key: | JGYYANQUENIMNN-UHFFFAOYSA-N |