3-[3-(3-chloro-4-methylphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-[(4-fluorophenyl)methyl]propanamide
Chemical Structure Depiction of
3-[3-(3-chloro-4-methylphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-[(4-fluorophenyl)methyl]propanamide
3-[3-(3-chloro-4-methylphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-[(4-fluorophenyl)methyl]propanamide
Compound characteristics
| Compound ID: | V001-4701 |
| Compound Name: | 3-[3-(3-chloro-4-methylphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-[(4-fluorophenyl)methyl]propanamide |
| Molecular Weight: | 400.84 |
| Molecular Formula: | C20 H18 Cl F N4 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1[Cl])C1NN=C(CCC(NCc2ccc(cc2)F)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0683 |
| logD: | 3.0683 |
| logSw: | -3.5107 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.78 |
| InChI Key: | PCUUHUURFSNQIE-UHFFFAOYSA-N |