2-[(4-fluorophenyl)methyl]-5-[(3-methoxyanilino)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-[(4-fluorophenyl)methyl]-5-[(3-methoxyanilino)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
2-[(4-fluorophenyl)methyl]-5-[(3-methoxyanilino)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8020-4652 |
| Compound Name: | 2-[(4-fluorophenyl)methyl]-5-[(3-methoxyanilino)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 328.34 |
| Molecular Formula: | C17 H17 F N4 O2 |
| Smiles: | COc1cccc(c1)NCC1NC(N(Cc2ccc(cc2)F)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9924 |
| logD: | 2.9811 |
| logSw: | -3.3012 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.185 |
| InChI Key: | NTQYSMUERXDJFW-UHFFFAOYSA-N |