6-(3-methoxyphenyl)-3-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
Chemical Structure Depiction of
6-(3-methoxyphenyl)-3-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
6-(3-methoxyphenyl)-3-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
Compound characteristics
| Compound ID: | S354-0472 |
| Compound Name: | 6-(3-methoxyphenyl)-3-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine |
| Molecular Weight: | 421.48 |
| Molecular Formula: | C21 H19 N5 O3 S |
| Smiles: | COc1cccc(c1)C1Cn2c(CO1)c(c1nc(c3ccc(cc3)SC)no1)nn2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0841 |
| logD: | 4.0841 |
| logSw: | -4.4158 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.709 |
| InChI Key: | OXWUQPQTBWNGCF-GOSISDBHSA-N |