3-[4-(cyclopentyloxy)phenyl]-5-{[(4-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-[4-(cyclopentyloxy)phenyl]-5-{[(4-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-[4-(cyclopentyloxy)phenyl]-5-{[(4-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y206-6309 |
| Compound Name: | 3-[4-(cyclopentyloxy)phenyl]-5-{[(4-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 405.56 |
| Molecular Formula: | C24 H27 N3 O S |
| Smiles: | Cc1ccc(CSc2nnc(c3ccc(cc3)OC3CCCC3)n2CC=C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8295 |
| logD: | 5.8295 |
| logSw: | -5.529 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.0389 |
| InChI Key: | DNCMZDBJEBFUJE-UHFFFAOYSA-N |