1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | E002-2136 |
| Compound Name: | 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C22 H27 N5 O3 S |
| Smiles: | COc1ccc(CNC(c2cccn2c2nnc(N3CCCCCC3)s2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.0417 |
| logD: | 4.0417 |
| logSw: | -4.061 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.879 |
| InChI Key: | IQABMXILJZLXMH-UHFFFAOYSA-N |