N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V027-4300 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 516.51 |
| Molecular Formula: | C27 H24 N4 O7 |
| Salt: | not_available |
| Smiles: | COc1cccc(CN2C(C(C(NCc3ccc4c(c3)OCO4)=O)=NN(C2=O)c2cccc(c2)OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7874 |
| logD: | 3.787 |
| logSw: | -4.0849 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.861 |
| InChI Key: | WKZAAVWWLHVRLA-UHFFFAOYSA-N |