5-(anilinomethyl)-2-[(2-chlorophenyl)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-(anilinomethyl)-2-[(2-chlorophenyl)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
5-(anilinomethyl)-2-[(2-chlorophenyl)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8020-2471 |
| Compound Name: | 5-(anilinomethyl)-2-[(2-chlorophenyl)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 314.77 |
| Molecular Formula: | C16 H15 Cl N4 O |
| Smiles: | C(C1NN(Cc2ccccc2[Cl])C(N=1)=O)Nc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.03 |
| logD: | 3.03 |
| logSw: | -3.3734 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.139 |
| InChI Key: | ZIIKGEYHESFCCP-UHFFFAOYSA-N |