3-(3,5-dimethoxyphenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3,5-dimethoxyphenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-(3,5-dimethoxyphenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V008-8736 |
| Compound Name: | 3-(3,5-dimethoxyphenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C20 H20 F N3 O2 S |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1)OC)c1nnc(n1CC=C)SCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.3618 |
| logD: | 4.3618 |
| logSw: | -4.3573 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.307 |
| InChI Key: | FVSHMTDAHMDNMN-UHFFFAOYSA-N |