ethyl {[6-ethyl-6-methyl-11-(2-methylprop-2-en-1-yl)-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[6-ethyl-6-methyl-11-(2-methylprop-2-en-1-yl)-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl]sulfanyl}acetate
ethyl {[6-ethyl-6-methyl-11-(2-methylprop-2-en-1-yl)-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D461-0648 |
| Compound Name: | ethyl {[6-ethyl-6-methyl-11-(2-methylprop-2-en-1-yl)-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl]sulfanyl}acetate |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C24 H28 N4 O3 S |
| Smiles: | CCC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(CC(C)=C)N=C1SCC(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7195 |
| logD: | 4.7192 |
| logSw: | -4.5211 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.999 |
| InChI Key: | RSNAXEOTHIJVCX-DEOSSOPVSA-N |