N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0438 |
| Compound Name: | N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C18 H31 N5 O3 S |
| Smiles: | CCN1CCN(CCNC(c2ccc3CN(CCCn23)S(C)(=O)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | -0.0535 |
| logD: | -0.846 |
| logSw: | -2.3144 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.307 |
| InChI Key: | HZUNMWPQEXLTMB-UHFFFAOYSA-N |