2-[6,6-dimethyl-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-[6,6-dimethyl-9-(methylsulfanyl)-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]-N-(3-methylphenyl)acetamide
2-[6,6-dimethyl-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: | D461-0130 |
| Compound Name: | 2-[6,6-dimethyl-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: | 459.57 |
| Molecular Formula: | C25 H25 N5 O2 S |
| Smiles: | Cc1cccc(c1)NC(CN1C2=NC3=C(C(N2C(=N1)SC)=O)C(C)(C)Cc1ccccc13)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7129 |
| logD: | 4.7113 |
| logSw: | -4.4932 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.718 |
| InChI Key: | SCTIIPPKCIAKLH-UHFFFAOYSA-N |