1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[4-(diethylamino)-2-methylphenyl]-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[4-(diethylamino)-2-methylphenyl]-1H-pyrrole-2-carboxamide
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[4-(diethylamino)-2-methylphenyl]-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | E002-2178 |
| Compound Name: | 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[4-(diethylamino)-2-methylphenyl]-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 452.62 |
| Molecular Formula: | C24 H32 N6 O S |
| Smiles: | CCN(CC)c1ccc(c(C)c1)NC(c1cccn1c1nnc(N2CCCCCC2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6587 |
| logD: | 5.4494 |
| logSw: | -5.2295 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.334 |
| InChI Key: | XXFRNDZXCJBBRN-UHFFFAOYSA-N |