3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-[(4-methoxyphenyl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-[(4-methoxyphenyl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-[(4-methoxyphenyl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y207-4211 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-[(4-methoxyphenyl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 403.9 |
| Molecular Formula: | C20 H19 Cl F N3 O S |
| Smiles: | COc1ccc(Cc2nnc(n2CC=C)SCc2c(cccc2[Cl])F)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0076 |
| logD: | 5.0076 |
| logSw: | -5.2288 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.739 |
| InChI Key: | CKSZXHVETVOVDO-UHFFFAOYSA-N |