methyl 3-({[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 3-({[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 3-({[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | V010-8656 |
| Compound Name: | methyl 3-({[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C24 H21 N3 O3 S |
| Salt: | not_available |
| Smiles: | COC(c1cccc(CSc2nnc(c3cccc(c3)OC)n2c2ccccc2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3133 |
| logD: | 5.3133 |
| logSw: | -5.3605 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.43 |
| InChI Key: | ZIQMRJRWSMGTAH-UHFFFAOYSA-N |