6-(4-chlorophenyl)-3-{5-[2-(3-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl}-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
Chemical Structure Depiction of
6-(4-chlorophenyl)-3-{5-[2-(3-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl}-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
6-(4-chlorophenyl)-3-{5-[2-(3-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl}-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
Compound characteristics
Compound ID: | S439-0069 |
Compound Name: | 6-(4-chlorophenyl)-3-{5-[2-(3-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl}-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine |
Molecular Weight: | 437.88 |
Molecular Formula: | C22 H20 Cl N5 O3 |
Smiles: | COc1cccc(CCc2nc(c3c4COC(Cn4nn3)c3ccc(cc3)[Cl])no2)c1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.2399 |
logD: | 4.2399 |
logSw: | -4.8867 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 73.375 |
InChI Key: | XRTYFDPYISTMLC-IBGZPJMESA-N |