1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(4-ethoxyphenyl)-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(4-ethoxyphenyl)-1H-pyrrole-2-carboxamide
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(4-ethoxyphenyl)-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | E002-2158 |
| Compound Name: | 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(4-ethoxyphenyl)-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C21 H25 N5 O2 S |
| Smiles: | CCOc1ccc(cc1)NC(c1cccn1c1nnc(N2CCCCCC2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0522 |
| logD: | 5.0522 |
| logSw: | -4.3238 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.419 |
| InChI Key: | WIWUMLDQBMDSFG-UHFFFAOYSA-N |