N-[2-(4-benzylpiperazin-1-yl)ethyl]-10-[(3-chlorophenyl)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-benzylpiperazin-1-yl)ethyl]-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(4-benzylpiperazin-1-yl)ethyl]-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-8371 |
| Compound Name: | N-[2-(4-benzylpiperazin-1-yl)ethyl]-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 613.18 |
| Molecular Formula: | C34 H33 Cl N4 O3 S |
| Smiles: | C(CN1CCN(CC1)Cc1ccccc1)NC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2444 |
| logD: | 4.1059 |
| logSw: | -4.4089 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.563 |
| InChI Key: | GDEFWSCTEVFVMS-UHFFFAOYSA-N |