(4-{[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetonitrile
Chemical Structure Depiction of
(4-{[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetonitrile
(4-{[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetonitrile
Compound characteristics
| Compound ID: | 2082-0074 |
| Compound Name: | (4-{[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetonitrile |
| Molecular Weight: | 397.82 |
| Molecular Formula: | C20 H16 Cl N3 O4 |
| Smiles: | Cc1ccc(cc1[Cl])N1C(C(=C/c2ccc(c(c2)OC)OCC#N)\C(N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8111 |
| logD: | 2.4046 |
| logSw: | -3.4828 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.386 |
| InChI Key: | ANZSLYWBDLCRNE-UHFFFAOYSA-N |