ethyl ({6,6-dimethyl-11-[(2-methylphenyl)methyl]-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({6,6-dimethyl-11-[(2-methylphenyl)methyl]-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl}sulfanyl)acetate
ethyl ({6,6-dimethyl-11-[(2-methylphenyl)methyl]-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D461-0714 |
| Compound Name: | ethyl ({6,6-dimethyl-11-[(2-methylphenyl)methyl]-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl}sulfanyl)acetate |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C27 H28 N4 O3 S |
| Smiles: | CCOC(CSC1=NN(Cc2ccccc2C)C2=NC3=C(C(N12)=O)C(C)(C)Cc1ccccc13)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6588 |
| logD: | 5.6414 |
| logSw: | -5.4523 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.727 |
| InChI Key: | FIWILFZSSIGQBR-UHFFFAOYSA-N |