N-[2-(4-benzylpiperazin-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-benzylpiperazin-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-benzylpiperazin-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: | C529-1974 |
| Compound Name: | N-[2-(4-benzylpiperazin-1-yl)ethyl]-10-ethyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 516.66 |
| Molecular Formula: | C29 H32 N4 O3 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(NCCN1CCN(CC1)Cc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2869 |
| logD: | 2.1484 |
| logSw: | -3.1689 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.559 |
| InChI Key: | SQKNGUBPFFXESQ-UHFFFAOYSA-N |