N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0443 |
| Compound Name: | N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 411.57 |
| Molecular Formula: | C19 H33 N5 O3 S |
| Smiles: | CCN1CCN(CCCNC(c2ccc3CN(CCCn23)S(C)(=O)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.0697 |
| logD: | -0.8785 |
| logSw: | -2.3024 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.307 |
| InChI Key: | JMOSLXFXWXOSPI-UHFFFAOYSA-N |