2-[(2-fluorophenyl)methyl]-5-[(4-methoxyanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-[(2-fluorophenyl)methyl]-5-[(4-methoxyanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
2-[(2-fluorophenyl)methyl]-5-[(4-methoxyanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8020-2490 |
| Compound Name: | 2-[(2-fluorophenyl)methyl]-5-[(4-methoxyanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 328.34 |
| Molecular Formula: | C17 H17 F N4 O2 |
| Smiles: | COc1ccc(cc1)NCC1NN(Cc2ccccc2F)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8607 |
| logD: | 2.8607 |
| logSw: | -3.2554 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.683 |
| InChI Key: | VXFBXJWFOKCVIR-UHFFFAOYSA-N |