2-[6,6-diethyl-9-(methylsulfanyl)-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-[6,6-diethyl-9-(methylsulfanyl)-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]-N-(4-methylphenyl)acetamide
2-[6,6-diethyl-9-(methylsulfanyl)-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D461-0139 |
| Compound Name: | 2-[6,6-diethyl-9-(methylsulfanyl)-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 487.62 |
| Molecular Formula: | C27 H29 N5 O2 S |
| Smiles: | CCC1(CC)Cc2ccccc2C2=C1C(N1C(=N2)N(CC(Nc2ccc(C)cc2)=O)N=C1SC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3425 |
| logD: | 5.3421 |
| logSw: | -5.2808 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.718 |
| InChI Key: | DKRIXLGCECEWGP-UHFFFAOYSA-N |