N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-10-ethyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-10-ethyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-10-ethyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-1970 |
| Compound Name: | N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-10-ethyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 537.08 |
| Molecular Formula: | C28 H29 Cl N4 O3 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(NCCN1CCN(CC1)c1cccc(c1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1895 |
| logD: | 3.1654 |
| logSw: | -3.8346 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.279 |
| InChI Key: | NPKLKMDEDKOZIP-UHFFFAOYSA-N |