2-[(4-chlorophenyl)methyl]-5-[(3-methoxyanilino)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-[(4-chlorophenyl)methyl]-5-[(3-methoxyanilino)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
2-[(4-chlorophenyl)methyl]-5-[(3-methoxyanilino)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8020-4649 |
| Compound Name: | 2-[(4-chlorophenyl)methyl]-5-[(3-methoxyanilino)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 344.8 |
| Molecular Formula: | C17 H17 Cl N4 O2 |
| Smiles: | COc1cccc(c1)NCC1NC(N(Cc2ccc(cc2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.558 |
| logD: | 3.5467 |
| logSw: | -3.9028 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.185 |
| InChI Key: | UIDNKQFQLFHRTJ-UHFFFAOYSA-N |