methyl 3-({[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 3-({[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 3-({[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | V011-5482 |
| Compound Name: | methyl 3-({[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C22 H19 N3 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccco2)nnc1SCc1cccc(c1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.683 |
| logD: | 4.6829 |
| logSw: | -4.5187 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.164 |
| InChI Key: | XDYZKPIRQYWKKR-UHFFFAOYSA-N |