1-[3-(4-chlorophenyl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]butan-1-one
Chemical Structure Depiction of
1-[3-(4-chlorophenyl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]butan-1-one
1-[3-(4-chlorophenyl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]butan-1-one
Compound characteristics
| Compound ID: | 6855-0327 |
| Compound Name: | 1-[3-(4-chlorophenyl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]butan-1-one |
| Molecular Weight: | 384.86 |
| Molecular Formula: | C20 H21 Cl N4 O2 |
| Smiles: | CCCC(n1c(NCc2ccc(cc2)OC)nc(c2ccc(cc2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7037 |
| logD: | 4.7037 |
| logSw: | -4.8388 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.515 |
| InChI Key: | AGFIAFWHSKRXNM-UHFFFAOYSA-N |