N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C791-0104 |
| Compound Name: | N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 490.6 |
| Molecular Formula: | C27 H27 F N4 O2 S |
| Smiles: | C(CNC(c1ccc2c(c1)NC(c1ccccc1S2)=O)=O)CN1CCN(CC1)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 4.1705 |
| logD: | 3.8693 |
| logSw: | -4.1919 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.372 |
| InChI Key: | QCZVJRCQSTYWHI-UHFFFAOYSA-N |