10-[(3-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-8414 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 551.11 |
| Molecular Formula: | C29 H31 Cl N4 O3 S |
| Smiles: | CCN1CCN(CCNC(c2ccc3c(c2)N(Cc2cccc(c2)[Cl])C(c2ccccc2S3=O)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.0909 |
| logD: | 2.2984 |
| logSw: | -3.8117 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.559 |
| InChI Key: | HZEYLTVRIHYOCG-UHFFFAOYSA-N |