N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-10-[(2,5-dimethylphenyl)methyl]-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-[(2,5-dimethylphenyl)methyl]-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-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-1046 |
| Compound Name: | N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 627.21 |
| Molecular Formula: | C35 H35 Cl N4 O3 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(NCCN2CCN(CC2)c2cccc(c2)[Cl])=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5376 |
| logD: | 5.5135 |
| logSw: | -5.7009 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.282 |
| InChI Key: | VLXYIZQJCZRJBA-UHFFFAOYSA-N |