9-(3,4-dimethoxyphenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(3,4-dimethoxyphenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3,4-dimethoxyphenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2975 |
| Compound Name: | 9-(3,4-dimethoxyphenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 504.65 |
| Molecular Formula: | C28 H32 N4 O3 S |
| Smiles: | Cc1ccc(CSc2nc3NC4CC(C)(C)CC(C=4C(c4ccc(c(c4)OC)OC)n3n2)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9768 |
| logD: | 5.8378 |
| logSw: | -5.4408 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.327 |
| InChI Key: | PIUQVMGRQUSHGE-VWLOTQADSA-N |