5-[(4-chloroanilino)methyl]-2-[(4-chlorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[(4-chloroanilino)methyl]-2-[(4-chlorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[(4-chloroanilino)methyl]-2-[(4-chlorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8020-2984 |
| Compound Name: | 5-[(4-chloroanilino)methyl]-2-[(4-chlorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 349.22 |
| Molecular Formula: | C16 H14 Cl2 N4 O |
| Smiles: | C(C1NC(N(Cc2ccc(cc2)[Cl])N=1)=O)Nc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.2139 |
| logD: | 4.2032 |
| logSw: | -4.5747 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.641 |
| InChI Key: | RPOYJNXPEJJBEN-UHFFFAOYSA-N |