2-[9-(ethylsulfanyl)-6,6-dimethyl-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]-N-(2-methylphenyl)acetamide
Chemical Structure Depiction of
2-[9-(ethylsulfanyl)-6,6-dimethyl-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]-N-(2-methylphenyl)acetamide
2-[9-(ethylsulfanyl)-6,6-dimethyl-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]-N-(2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D461-0126 |
| Compound Name: | 2-[9-(ethylsulfanyl)-6,6-dimethyl-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]-N-(2-methylphenyl)acetamide |
| Molecular Weight: | 473.6 |
| Molecular Formula: | C26 H27 N5 O2 S |
| Smiles: | CCSC1=NN(CC(Nc2ccccc2C)=O)C2=NC3=C(C(N12)=O)C(C)(C)Cc1ccccc13 |
| Stereo: | ACHIRAL |
| logP: | 4.6611 |
| logD: | 4.658 |
| logSw: | -4.3789 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.02 |
| InChI Key: | UNQLMPJHWZPOQO-UHFFFAOYSA-N |