methyl 4-methoxy-3-{[5-(4-methylphenyl)-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-methylphenyl)-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-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]methyl}benzoate
Compound characteristics
| Compound ID: | C433-0347 |
| Compound Name: | methyl 4-methoxy-3-{[5-(4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]methyl}benzoate |
| Molecular Weight: | 408.41 |
| Molecular Formula: | C21 H20 N4 O5 |
| Smiles: | Cc1ccc(cc1)N1C(C2C(C1=O)N(Cc1cc(ccc1OC)C(=O)OC)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2488 |
| logD: | 2.2486 |
| logSw: | -2.7247 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 86.177 |
| InChI Key: | MYMBCQBDNXPZPV-UHFFFAOYSA-N |