methyl 4-methoxy-3-{[5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-methoxy-3-{[5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]methyl}benzoate
methyl 4-methoxy-3-{[5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]methyl}benzoate
Compound characteristics
| Compound ID: | C433-0509 |
| Compound Name: | methyl 4-methoxy-3-{[5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]methyl}benzoate |
| Molecular Weight: | 424.41 |
| Molecular Formula: | C21 H20 N4 O6 |
| Smiles: | COC(c1ccc(c(CN2C3C(C(N(C3=O)c3ccc(cc3)OC)=O)N=N2)c1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8078 |
| logD: | 1.8076 |
| logSw: | -2.3743 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 93.721 |
| InChI Key: | GOPDGSUGORSHJQ-UHFFFAOYSA-N |