methyl 3-({[5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 3-({[5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 3-({[5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | V011-4984 |
| Compound Name: | methyl 3-({[5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 421.47 |
| Molecular Formula: | C22 H19 N3 O4 S |
| Salt: | not_available |
| Smiles: | COC(c1cccc(CSc2nnc(c3ccco3)n2c2ccccc2OC)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1008 |
| logD: | 4.1006 |
| logSw: | -4.3442 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.794 |
| InChI Key: | UATWSZCGWKUYHN-UHFFFAOYSA-N |