9-[4-(dimethylamino)phenyl]-2-{[(2,5-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-[4-(dimethylamino)phenyl]-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-[4-(dimethylamino)phenyl]-2-{[(2,5-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: | C202-2965 |
| Compound Name: | 9-[4-(dimethylamino)phenyl]-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 487.67 |
| Molecular Formula: | C28 H33 N5 O S |
| Smiles: | Cc1ccc(C)c(CSc2nc3NC4CC(C)(C)CC(C=4C(c4ccc(cc4)N(C)C)n3n2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5431 |
| logD: | 6.3897 |
| logSw: | -5.4958 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.871 |
| InChI Key: | GNAYTMOYWHJZTK-VWLOTQADSA-N |