N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V021-4807 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 470.48 |
| Molecular Formula: | C26 H22 N4 O5 |
| Smiles: | Cc1ccccc1CN1C(C(C(NCc2ccc3c(c2)OCO3)=O)=NN(C1=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0605 |
| logD: | 4.06 |
| logSw: | -4.0646 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.774 |
| InChI Key: | ZWLJRBPKJBCTRT-UHFFFAOYSA-N |