methyl 4-(6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)benzoate
Chemical Structure Depiction of
methyl 4-(6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)benzoate
methyl 4-(6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)benzoate
Compound characteristics
| Compound ID: | 6456-0524 |
| Compound Name: | methyl 4-(6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)benzoate |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C19 H20 N4 O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)C(=O)OC)n3c(N2)ncn3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8522 |
| logD: | 2.4796 |
| logSw: | -3.2739 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.731 |
| InChI Key: | DUHIRWVGVUUHNM-INIZCTEOSA-N |