ethyl {6-ethyl-6-methyl-9-[(2-methylprop-2-en-1-yl)sulfanyl]-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl}acetate
Chemical Structure Depiction of
ethyl {6-ethyl-6-methyl-9-[(2-methylprop-2-en-1-yl)sulfanyl]-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl}acetate
ethyl {6-ethyl-6-methyl-9-[(2-methylprop-2-en-1-yl)sulfanyl]-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl}acetate
Compound characteristics
| Compound ID: | D461-0815 |
| Compound Name: | ethyl {6-ethyl-6-methyl-9-[(2-methylprop-2-en-1-yl)sulfanyl]-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl}acetate |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C24 H28 N4 O3 S |
| Smiles: | CCC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(CC(=O)OCC)N=C1SCC(C)=C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7506 |
| logD: | 4.7492 |
| logSw: | -4.5389 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.999 |
| InChI Key: | DRKMRHIWVYZGDX-DEOSSOPVSA-N |