1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | E002-2234 |
| Compound Name: | 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C21 H25 N5 O2 S |
| Smiles: | COc1ccc(CNC(c2cccn2c2nnc(N3CCCCCC3)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4091 |
| logD: | 4.4091 |
| logSw: | -4.1255 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.161 |
| InChI Key: | KRWZSIGGIACTIW-UHFFFAOYSA-N |