propan-2-yl 4-(5-{[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
Chemical Structure Depiction of
propan-2-yl 4-(5-{[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
propan-2-yl 4-(5-{[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
Compound characteristics
| Compound ID: | 2237-1891 |
| Compound Name: | propan-2-yl 4-(5-{[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate |
| Molecular Weight: | 464.9 |
| Molecular Formula: | C25 H21 Cl N2 O5 |
| Smiles: | CC(C)OC(c1ccc(cc1)c1ccc(/C=C2/C(NN(C2=O)c2ccc(C)c(c2)[Cl])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6362 |
| logD: | 5.2035 |
| logSw: | -6.0556 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.762 |
| InChI Key: | NQYZSEQVRUQNIZ-UHFFFAOYSA-N |