1-[5-{[(3-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-(naphthalen-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[5-{[(3-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-(naphthalen-1-yl)ethan-1-one
1-[5-{[(3-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-(naphthalen-1-yl)ethan-1-one
Compound characteristics
Compound ID: | D331-0560 |
Compound Name: | 1-[5-{[(3-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-(naphthalen-1-yl)ethan-1-one |
Molecular Weight: | 442.9 |
Molecular Formula: | C25 H19 Cl N4 O2 |
Smiles: | C(C(n1c(NCc2cccc(c2)[Cl])nc(c2ccco2)n1)=O)c1cccc2ccccc12 |
Stereo: | ACHIRAL |
logP: | 5.3237 |
logD: | 5.285 |
logSw: | -6.2674 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.007 |
InChI Key: | BCTCYKNVVKMCMA-UHFFFAOYSA-N |