2-{[(2-chlorophenyl)methyl]sulfanyl}-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-{[(2-chlorophenyl)methyl]sulfanyl}-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C118-0095 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 513.01 |
| Molecular Formula: | C25 H25 Cl N4 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1C2=C(CCCC2=O)Nc2nc(nn12)SCc1ccccc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0086 |
| logD: | 4.9467 |
| logSw: | -5.234 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.045 |
| InChI Key: | YUBQSNOXOLOXNG-QFIPXVFZSA-N |