2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-1417 |
| Compound Name: | 2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C25 H26 N4 O2 S |
| Smiles: | Cc1ccc(CSc2nc3NC4CCCC(C=4C(c4ccc(cc4)OC)n3n2)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.691 |
| logD: | 5.6291 |
| logSw: | -5.2924 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.61 |
| InChI Key: | LKEWDCYFOAAIBX-QHCPKHFHSA-N |