ethyl 2-{[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
Compound ID: | V011-4183 |
Compound Name: | ethyl 2-{[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
Molecular Weight: | 412.29 |
Molecular Formula: | C17 H15 Cl2 N3 O3 S |
Salt: | not_available |
Smiles: | CCOC(C(C)Sc1nnc(c2ccco2)n1c1ccc(c(c1)[Cl])[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.8214 |
logD: | 4.8212 |
logSw: | -4.8588 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 54.316 |
InChI Key: | AGVYWDBLBMWWDG-JTQLQIEISA-N |