ethyl {6-ethyl-6-methyl-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-ethyl-6-methyl-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-ethyl-6-methyl-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: | D461-0812 |
| Compound Name: | ethyl {6-ethyl-6-methyl-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: | 438.55 |
| Molecular Formula: | C23 H26 N4 O3 S |
| Smiles: | CCC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(CC(=O)OCC)N=C1SCC=C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3117 |
| logD: | 4.3103 |
| logSw: | -4.3284 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.999 |
| InChI Key: | CELNLQKEBXIOOW-QHCPKHFHSA-N |