2-benzyl-5-[(4-methoxyanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-benzyl-5-[(4-methoxyanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
2-benzyl-5-[(4-methoxyanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8020-2487 |
| Compound Name: | 2-benzyl-5-[(4-methoxyanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 310.35 |
| Molecular Formula: | C17 H18 N4 O2 |
| Smiles: | COc1ccc(cc1)NCC1NN(Cc2ccccc2)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5826 |
| logD: | 2.5826 |
| logSw: | -2.8525 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.683 |
| InChI Key: | RJQOTNUYAAKHMD-UHFFFAOYSA-N |