methyl 3-({[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 3-({[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 3-({[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | V006-4606 |
| Compound Name: | methyl 3-({[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 383.44 |
| Molecular Formula: | C20 H18 F N3 O2 S |
| Salt: | not_available |
| Smiles: | COC(c1cccc(CSc2nnc(c3ccc(cc3)F)n2CC=C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6572 |
| logD: | 4.6572 |
| logSw: | -4.6067 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.393 |
| InChI Key: | YFRHQAXZNSJULZ-UHFFFAOYSA-N |