2-(3-chlorophenyl)-4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
2-(3-chlorophenyl)-4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
2-(3-chlorophenyl)-4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V022-3663 |
| Compound Name: | 2-(3-chlorophenyl)-4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 430.86 |
| Molecular Formula: | C21 H20 Cl F N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CNC(C1C(N(Cc2ccccc2F)C(N(c2cccc(c2)[Cl])N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0203 |
| logD: | 4.0202 |
| logSw: | -4.3971 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.93 |
| InChI Key: | AGCXNLDUHMZSMI-UHFFFAOYSA-N |