N-[2-(4-ethylpiperazin-1-yl)ethyl]-10-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(4-ethylpiperazin-1-yl)ethyl]-10-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(4-ethylpiperazin-1-yl)ethyl]-10-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-0640 |
| Compound Name: | N-[2-(4-ethylpiperazin-1-yl)ethyl]-10-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 546.69 |
| Molecular Formula: | C30 H34 N4 O4 S |
| Smiles: | CCN1CCN(CCNC(c2ccc3c(c2)N(Cc2cccc(C)c2)C(c2ccccc2S3(=O)=O)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.2117 |
| logD: | 2.4191 |
| logSw: | -3.6801 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.155 |
| InChI Key: | JNCVYDJSDQUGRW-UHFFFAOYSA-N |