2-[6-ethyl-6-methyl-9-(methylsulfanyl)-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-[6-ethyl-6-methyl-9-(methylsulfanyl)-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]-N-(3-methylphenyl)acetamide
2-[6-ethyl-6-methyl-9-(methylsulfanyl)-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D461-0132 |
| Compound Name: | 2-[6-ethyl-6-methyl-9-(methylsulfanyl)-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 473.6 |
| Molecular Formula: | C26 H27 N5 O2 S |
| Smiles: | CCC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(CC(Nc2cccc(C)c2)=O)N=C1SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9038 |
| logD: | 4.9029 |
| logSw: | -4.6096 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.718 |
| InChI Key: | PDZLQVHKUZXFOV-SANMLTNESA-N |