N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-0386 |
| Compound Name: | N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 553.08 |
| Molecular Formula: | C28 H29 Cl N4 O4 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(NCCN1CCN(CC1)c1cccc(c1)[Cl])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3191 |
| logD: | 3.295 |
| logSw: | -3.8909 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.875 |
| InChI Key: | UMMNAYCMPQAREN-UHFFFAOYSA-N |