N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-(4-methylphenyl)-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]-4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | G674-0137 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 394.39 |
| Molecular Formula: | C20 H18 N4 O5 |
| Smiles: | Cc1ccc(cc1)N1C(N(C)C(C(C(NCc2ccc3c(c2)OCO3)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4952 |
| logD: | 2.4944 |
| logSw: | -2.9767 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.811 |
| InChI Key: | KXTNZHJRCWJCTF-UHFFFAOYSA-N |