9-(2,3-dimethoxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(2,3-dimethoxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(2,3-dimethoxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2634 |
| Compound Name: | 9-(2,3-dimethoxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Smiles: | Cc1ccccc1CSc1nc2NC3CCCC(C=3C(c3cccc(c3OC)OC)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2868 |
| logD: | 5.2249 |
| logSw: | -5.1721 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.414 |
| InChI Key: | DUJIPFDQCZWWMD-QFIPXVFZSA-N |