2-(benzylsulfanyl)-9-(4-ethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-9-(4-ethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(benzylsulfanyl)-9-(4-ethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C118-0055 |
| Compound Name: | 2-(benzylsulfanyl)-9-(4-ethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C24 H24 N4 O2 S |
| Smiles: | CCOc1ccc(cc1)C1C2=C(CCCC2=O)Nc2nc(nn12)SCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7114 |
| logD: | 4.6495 |
| logSw: | -4.3502 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.19 |
| InChI Key: | DZXNRDBBESQKPT-QFIPXVFZSA-N |