ethyl [6-ethyl-9-(ethylsulfanyl)-6-methyl-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-9-(ethylsulfanyl)-6-methyl-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]acetate
ethyl [6-ethyl-9-(ethylsulfanyl)-6-methyl-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]acetate
Compound characteristics
| Compound ID: | D461-0099 |
| Compound Name: | ethyl [6-ethyl-9-(ethylsulfanyl)-6-methyl-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(C)Cc2ccccc2C2=C1C(N1C(=N2)N(CC(=O)OCC)N=C1SCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0603 |
| logD: | 4.0486 |
| logSw: | -4.079 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.999 |
| InChI Key: | ADFGXHOKJYZBMB-QFIPXVFZSA-N |