2-(3,4-dimethylphenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-(1-phenylethyl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-(1-phenylethyl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
2-(3,4-dimethylphenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-(1-phenylethyl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V002-4201 |
| Compound Name: | 2-(3,4-dimethylphenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-(1-phenylethyl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 472.52 |
| Molecular Formula: | C27 H25 F N4 O3 |
| Salt: | not_available |
| Smiles: | CC(c1ccccc1)NC(C1C(N(Cc2ccccc2F)C(N(c2ccc(C)c(C)c2)N=1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3738 |
| logD: | 5.3588 |
| logSw: | -5.3047 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.821 |
| InChI Key: | KHWBXOQUWRAKGT-IBGZPJMESA-N |