2-(benzylsulfanyl)-9-(2,3-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-9-(2,3-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(benzylsulfanyl)-9-(2,3-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2370 |
| Compound Name: | 2-(benzylsulfanyl)-9-(2,3-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: | COc1cccc(C2C3=C(CCCC3=O)Nc3nc(nn23)SCc2ccccc2)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2091 |
| logD: | 4.1472 |
| logSw: | -4.4359 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.414 |
| InChI Key: | TZNGWQAZKJEKHK-NRFANRHFSA-N |