1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-{[4-(dimethylamino)phenyl]methyl}-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-{[4-(dimethylamino)phenyl]methyl}-1H-pyrrole-2-carboxamide
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-{[4-(dimethylamino)phenyl]methyl}-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | E002-2137 |
| Compound Name: | 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-{[4-(dimethylamino)phenyl]methyl}-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 424.57 |
| Molecular Formula: | C22 H28 N6 O S |
| Smiles: | CN(C)c1ccc(CNC(c2cccn2c2nnc(N3CCCCCC3)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5168 |
| logD: | 4.5014 |
| logSw: | -4.0648 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.422 |
| InChI Key: | YIEJNYZBAHCQEP-UHFFFAOYSA-N |