1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | E002-2251 |
| Compound Name: | 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 431.6 |
| Molecular Formula: | C21 H33 N7 O S |
| Smiles: | CN1CCN(CCCNC(c2cccn2c2nnc(N3CCCCCC3)s2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.5356 |
| logD: | 1.3853 |
| logSw: | -2.7063 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.918 |
| InChI Key: | XKMWLIVYMHLDHL-UHFFFAOYSA-N |