ethyl 2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Chemical Structure Depiction of
ethyl 2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
ethyl 2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Compound characteristics
| Compound ID: | V006-1835 |
| Compound Name: | ethyl 2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate |
| Molecular Weight: | 419.93 |
| Molecular Formula: | C20 H22 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | CCCC(C(=O)OCC)Sc1nnc(c2ccco2)n1c1cc(ccc1C)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5302 |
| logD: | 5.53 |
| logSw: | -5.8062 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.015 |
| InChI Key: | KMDKLWVDSWRPLV-KRWDZBQOSA-N |