N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C791-0088 |
| Compound Name: | N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 493.03 |
| Molecular Formula: | C26 H25 Cl N4 O2 S |
| Smiles: | C(CN1CCN(CC1)c1cccc(c1)[Cl])NC(c1ccc2c(c1)NC(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4524 |
| logD: | 4.4274 |
| logSw: | -4.5269 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.673 |
| InChI Key: | CHNJOGMVMXKTHY-UHFFFAOYSA-N |