N-(3-methoxypropyl)-3,5-dioxo-2-phenyl-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N-(3-methoxypropyl)-3,5-dioxo-2-phenyl-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-(3-methoxypropyl)-3,5-dioxo-2-phenyl-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V027-4254 |
| Compound Name: | N-(3-methoxypropyl)-3,5-dioxo-2-phenyl-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 462.43 |
| Molecular Formula: | C22 H21 F3 N4 O4 |
| Salt: | not_available |
| Smiles: | COCCCNC(C1C(N(Cc2ccc(cc2)C(F)(F)F)C(N(c2ccccc2)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0938 |
| logD: | 3.0937 |
| logSw: | -3.4248 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.114 |
| InChI Key: | URGRTULSCCOKBI-UHFFFAOYSA-N |