2-{[(4-chlorophenyl)methyl]sulfanyl}-9-(2-ethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-9-(2-ethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-{[(4-chlorophenyl)methyl]sulfanyl}-9-(2-ethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C650-0161 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-9-(2-ethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 466.99 |
| Molecular Formula: | C24 H23 Cl N4 O2 S |
| Smiles: | CCOc1ccccc1C1C2=C(CCCC2=O)Nc2nc(nn12)SCc1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4795 |
| logD: | 5.4176 |
| logSw: | -5.7933 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.277 |
| InChI Key: | HGNNXGBPBJBYNA-QFIPXVFZSA-N |