10-[(3-chlorophenyl)methyl]-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-3926 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 601.14 |
| Molecular Formula: | C33 H30 Cl F N4 O2 S |
| Smiles: | C(CN1CCN(CC1)c1ccccc1F)NC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4811 |
| logD: | 6.4712 |
| logSw: | -6.3325 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.597 |
| InChI Key: | FGSGUNKOHSBAPG-UHFFFAOYSA-N |