N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-fluorophenyl)-4-[(4-methylphenyl)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-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V006-0578 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 488.47 |
| Molecular Formula: | C26 H21 F N4 O5 |
| Smiles: | Cc1ccc(CN2C(C(C(NCc3ccc4c(c3)OCO4)=O)=NN(C2=O)c2ccccc2F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9937 |
| logD: | 3.9933 |
| logSw: | -4.0901 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.473 |
| InChI Key: | OWDAUWIAYJJQEN-UHFFFAOYSA-N |