2-(azepane-1-carbonyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
Chemical Structure Depiction of
2-(azepane-1-carbonyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
2-(azepane-1-carbonyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
Compound characteristics
| Compound ID: | T408-2161 |
| Compound Name: | 2-(azepane-1-carbonyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide |
| Molecular Weight: | 432.63 |
| Molecular Formula: | C23 H36 N4 O2 S |
| Smiles: | CN1CCN(CCNC(C2CCc3c(C2)cc(C(N2CCCCCC2)=O)s3)=O)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4226 |
| logD: | 1.7552 |
| logSw: | -2.6997 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.871 |
| InChI Key: | HEXWEPSKLULHRE-GOSISDBHSA-N |