3-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
Chemical Structure Depiction of
3-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
3-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
Compound characteristics
| Compound ID: | S439-0093 |
| Compound Name: | 3-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine |
| Molecular Weight: | 423.81 |
| Molecular Formula: | C20 H14 Cl N5 O4 |
| Smiles: | C1C(c2ccc(cc2)[Cl])OCc2c(c3nc(c4ccc5c(c4)OCO5)on3)nnn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5128 |
| logD: | 3.5128 |
| logSw: | -4.1434 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 83.281 |
| InChI Key: | TXSJCPQAYNDCJH-KRWDZBQOSA-N |