ethyl [6,6-dimethyl-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-dimethyl-9-(methylsulfanyl)-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]acetate
ethyl [6,6-dimethyl-9-(methylsulfanyl)-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]acetate
Compound characteristics
| Compound ID: | D461-0096 |
| Compound Name: | ethyl [6,6-dimethyl-9-(methylsulfanyl)-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]acetate |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C20 H22 N4 O3 S |
| Smiles: | CCOC(CN1C2=NC3=C(C(N2C(=N1)SC)=O)C(C)(C)Cc1ccccc13)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3561 |
| logD: | 3.345 |
| logSw: | -3.5158 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.999 |
| InChI Key: | NHPWSNBJTDDFDI-UHFFFAOYSA-N |