methyl 3-({[5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 3-({[5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 3-({[5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | V003-3184 |
| Compound Name: | methyl 3-({[5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Salt: | not_available |
| Smiles: | COC(c1cccc(CSc2nnc(c3cc(cc(c3)OC)OC)n2CC=C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5952 |
| logD: | 4.5952 |
| logSw: | -4.5511 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.48 |
| InChI Key: | LDLONUAZBVQZKB-UHFFFAOYSA-N |