6-ethyl-6-methyl-11-(2-methylprop-2-en-1-yl)-9-[(2-methylpropyl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
6-ethyl-6-methyl-11-(2-methylprop-2-en-1-yl)-9-[(2-methylpropyl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
6-ethyl-6-methyl-11-(2-methylprop-2-en-1-yl)-9-[(2-methylpropyl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0434 |
| Compound Name: | 6-ethyl-6-methyl-11-(2-methylprop-2-en-1-yl)-9-[(2-methylpropyl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one |
| Molecular Weight: | 422.59 |
| Molecular Formula: | C24 H30 N4 O S |
| Smiles: | CCC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(CC(C)=C)N=C1SCC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8839 |
| logD: | 5.8811 |
| logSw: | -5.5021 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.84 |
| InChI Key: | ATAFSQUAUMWKPX-DEOSSOPVSA-N |