3-{[(2-methylphenyl)methyl]sulfanyl}-5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-methylphenyl)methyl]sulfanyl}-5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-{[(2-methylphenyl)methyl]sulfanyl}-5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-8557 |
| Compound Name: | 3-{[(2-methylphenyl)methyl]sulfanyl}-5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 351.47 |
| Molecular Formula: | C20 H21 N3 O S |
| Smiles: | Cc1ccccc1CSc1nnc(COc2ccccc2)n1CC=C |
| Stereo: | ACHIRAL |
| logP: | 4.8331 |
| logD: | 4.8331 |
| logSw: | -4.6341 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.694 |
| InChI Key: | KORQBRLDSKYXSJ-UHFFFAOYSA-N |