methyl 5-({[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | V013-8578 |
| Compound Name: | methyl 5-({[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C19 H19 N3 O4 S |
| Salt: | not_available |
| Smiles: | COC(c1ccc(CSc2nnc(c3ccc(cc3)OC)n2CC=C)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.083 |
| logD: | 4.083 |
| logSw: | -4.1774 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.778 |
| InChI Key: | KQZGJIQPBYGBIW-UHFFFAOYSA-N |