N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V012-0655 |
| Compound Name: | N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 475.47 |
| Molecular Formula: | C23 H24 F3 N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)N1C(N(Cc2cccc(c2)C(F)(F)F)C(C(C(NCCN(C)C)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2461 |
| logD: | 2.129 |
| logSw: | -3.3954 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.637 |
| InChI Key: | OFPJDTAVCSPKRT-UHFFFAOYSA-N |