(2-{[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenoxy)acetonitrile
Chemical Structure Depiction of
(2-{[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenoxy)acetonitrile
(2-{[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenoxy)acetonitrile
Compound characteristics
| Compound ID: | 2082-0008 |
| Compound Name: | (2-{[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenoxy)acetonitrile |
| Molecular Weight: | 367.79 |
| Molecular Formula: | C19 H14 Cl N3 O3 |
| Smiles: | Cc1ccc(cc1[Cl])N1C(C(=C/c2ccccc2OCC#N)\C(N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3329 |
| logD: | 3.085 |
| logSw: | -3.5987 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.756 |
| InChI Key: | ORFUUKWKBUIMCH-UHFFFAOYSA-N |