ethyl {6,6-dimethyl-7-oxo-9-[(prop-2-en-1-yl)sulfanyl]-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl}acetate
Chemical Structure Depiction of
ethyl {6,6-dimethyl-7-oxo-9-[(prop-2-en-1-yl)sulfanyl]-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl}acetate
ethyl {6,6-dimethyl-7-oxo-9-[(prop-2-en-1-yl)sulfanyl]-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl}acetate
Compound characteristics
| Compound ID: | D461-0811 |
| Compound Name: | ethyl {6,6-dimethyl-7-oxo-9-[(prop-2-en-1-yl)sulfanyl]-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl}acetate |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C22 H24 N4 O3 S |
| Smiles: | CCOC(CN1C2=NC3=C(C(N2C(=N1)SCC=C)=O)C(C)(C)Cc1ccccc13)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1208 |
| logD: | 4.1183 |
| logSw: | -4.2219 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.999 |
| InChI Key: | ONRHCBHTAYBTTG-UHFFFAOYSA-N |