ethyl [6,6-diethyl-9-(methylsulfanyl)-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]acetate
Chemical Structure Depiction of
ethyl [6,6-diethyl-9-(methylsulfanyl)-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]acetate
ethyl [6,6-diethyl-9-(methylsulfanyl)-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]acetate
Compound characteristics
| Compound ID: | D461-0100 |
| Compound Name: | ethyl [6,6-diethyl-9-(methylsulfanyl)-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]acetate |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C22 H26 N4 O3 S |
| Smiles: | CCC1(CC)Cc2ccccc2C2=C1C(N1C(=N2)N(CC(=O)OCC)N=C1SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9223 |
| logD: | 3.9192 |
| logSw: | -3.9303 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.999 |
| InChI Key: | KAJZVXJTVIXNBC-UHFFFAOYSA-N |