N-benzyl-2-(3-fluorophenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N-benzyl-2-(3-fluorophenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-benzyl-2-(3-fluorophenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V021-8339 |
| Compound Name: | N-benzyl-2-(3-fluorophenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 444.46 |
| Molecular Formula: | C25 H21 F N4 O3 |
| Smiles: | Cc1ccc(CN2C(C(C(NCc3ccccc3)=O)=NN(C2=O)c2cccc(c2)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1539 |
| logD: | 4.1397 |
| logSw: | -4.2296 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.658 |
| InChI Key: | LPMKRXFJYZQAIX-UHFFFAOYSA-N |