6,6-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-9-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
6,6-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-9-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
6,6-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-9-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2759 |
| Compound Name: | 6,6-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-9-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 436.6 |
| Molecular Formula: | C23 H24 N4 O S2 |
| Smiles: | Cc1ccccc1CSc1nc2NC3CC(C)(C)CC(C=3C(c3cccs3)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6499 |
| logD: | 5.4635 |
| logSw: | -5.4514 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.085 |
| InChI Key: | DNIAJIIBCUUTBY-FQEVSTJZSA-N |