N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dioxo-2-phenyl-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dioxo-2-phenyl-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dioxo-2-phenyl-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V022-1160 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dioxo-2-phenyl-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 524.46 |
| Molecular Formula: | C26 H19 F3 N4 O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(C1C(N(Cc2cccc(c2)C(F)(F)F)C(N(c2ccccc2)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1986 |
| logD: | 4.1982 |
| logSw: | -4.4228 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.774 |
| InChI Key: | WOANTGRTWASNRP-UHFFFAOYSA-N |