methyl 5-({[5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({[5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | V012-0257 |
| Compound Name: | methyl 5-({[5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C22 H19 N3 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)c1nnc(n1c1ccccc1)SCc1ccc(C(=O)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.0947 |
| logD: | 5.0947 |
| logSw: | -4.9447 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.728 |
| InChI Key: | MGTPFMMHVFTACO-UHFFFAOYSA-N |