N-(cyclopropylmethyl)-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-(cyclopropylmethyl)-2-(3-methylphenyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-(cyclopropylmethyl)-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: | V021-4426 |
| Compound Name: | N-(cyclopropylmethyl)-2-(3-methylphenyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 458.44 |
| Molecular Formula: | C23 H21 F3 N4 O3 |
| Smiles: | Cc1cccc(c1)N1C(N(Cc2cccc(c2)C(F)(F)F)C(C(C(NCC2CC2)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.241 |
| logD: | 4.241 |
| logSw: | -4.377 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.181 |
| InChI Key: | MLGBPSTZBIHNQN-UHFFFAOYSA-N |