9-(4-ethoxy-2-methoxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(4-ethoxy-2-methoxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-ethoxy-2-methoxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | K832-3174 |
| Compound Name: | 9-(4-ethoxy-2-methoxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3nc(nn23)SC)c(c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.215 |
| logD: | 3.989 |
| logSw: | -4.3736 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.092 |
| InChI Key: | ZWBJTJQXXSKRDT-SFHVURJKSA-N |