2-(benzylsulfanyl)-9-(2,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-9-(2,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(benzylsulfanyl)-9-(2,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-1239 |
| Compound Name: | 2-(benzylsulfanyl)-9-(2,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C24 H24 N4 O3 S |
| Smiles: | COc1ccc(C2C3=C(CCCC3=O)Nc3nc(nn23)SCc2ccccc2)c(c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4284 |
| logD: | 4.3665 |
| logSw: | -4.4535 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.241 |
| InChI Key: | NIFLZFJAWWQFIY-QFIPXVFZSA-N |