N-[(4-butoxyphenyl)methyl]-1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
N-[(4-butoxyphenyl)methyl]-1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide
N-[(4-butoxyphenyl)methyl]-1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | E002-2125 |
| Compound Name: | N-[(4-butoxyphenyl)methyl]-1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 522.71 |
| Molecular Formula: | C28 H38 N6 O2 S |
| Smiles: | CCCCOc1ccc(CNC(c2cccn2c2nnc(N3CCN(CC3)C3CCCCC3)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0203 |
| logD: | 5.1998 |
| logSw: | -5.2381 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.798 |
| InChI Key: | GHPFJEVSKLQBGM-UHFFFAOYSA-N |