1-(4-chloro-1-methyl-1H-pyrazol-3-yl)-3-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}prop-2-en-1-one
Chemical Structure Depiction of
1-(4-chloro-1-methyl-1H-pyrazol-3-yl)-3-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}prop-2-en-1-one
1-(4-chloro-1-methyl-1H-pyrazol-3-yl)-3-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}prop-2-en-1-one
Compound characteristics
Compound ID: | Y503-3975 |
Compound Name: | 1-(4-chloro-1-methyl-1H-pyrazol-3-yl)-3-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}prop-2-en-1-one |
Molecular Weight: | 441.87 |
Molecular Formula: | C22 H20 Cl N3 O5 |
Smiles: | Cc1cc(ccc1[N+]([O-])=O)OCc1cc(/C=C/C(c2c(cn(C)n2)[Cl])=O)ccc1OC |
Stereo: | ACHIRAL |
logP: | 4.6363 |
logD: | 4.6363 |
logSw: | -4.9191 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 76.508 |
InChI Key: | OLFWPZWIDBRXBM-UHFFFAOYSA-N |