1-(4-bromothiophen-2-yl)-N-[3-(ethylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazol-4-yl]methanimine
Chemical Structure Depiction of
1-(4-bromothiophen-2-yl)-N-[3-(ethylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazol-4-yl]methanimine
1-(4-bromothiophen-2-yl)-N-[3-(ethylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazol-4-yl]methanimine
Compound characteristics
Compound ID: | Y508-9038 |
Compound Name: | 1-(4-bromothiophen-2-yl)-N-[3-(ethylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazol-4-yl]methanimine |
Molecular Weight: | 383.29 |
Molecular Formula: | C13 H11 Br N4 O S2 |
Smiles: | CCSc1nnc(c2ccco2)n1/N=C/c1cc(cs1)[Br] |
Stereo: | ACHIRAL |
logP: | 3.8688 |
logD: | 3.8688 |
logSw: | -3.8607 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 45.202 |
InChI Key: | FDKGWALVAUWPJP-UHFFFAOYSA-N |