9-(4-methoxyphenyl)-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-(4-methoxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-methoxyphenyl)-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: | C650-0112 |
| Compound Name: | 9-(4-methoxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-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: | Cc1ccccc1CSc1nc2NC3CCCC(C=3C(c3ccc(cc3)OC)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4025 |
| logD: | 5.3406 |
| logSw: | -5.3107 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.61 |
| InChI Key: | HVEKPIFKYZWUSK-QFIPXVFZSA-N |