(2-{[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-methoxyphenoxy)acetonitrile
Chemical Structure Depiction of
(2-{[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-methoxyphenoxy)acetonitrile
(2-{[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-methoxyphenoxy)acetonitrile
Compound characteristics
| Compound ID: | 2083-0062 |
| Compound Name: | (2-{[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-methoxyphenoxy)acetonitrile |
| Molecular Weight: | 416.26 |
| Molecular Formula: | C20 H15 Cl2 N3 O3 |
| Smiles: | CC1/C(=C\c2cccc(c2OCC#N)OC)C(N(c2ccc(c(c2)[Cl])[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1657 |
| logD: | 4.1657 |
| logSw: | -4.434 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.3 |
| InChI Key: | YXBOJLKJAHDDSE-UHFFFAOYSA-N |