propan-2-yl 2-chloro-5-(5-{[1-(4-ethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
Chemical Structure Depiction of
propan-2-yl 2-chloro-5-(5-{[1-(4-ethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
propan-2-yl 2-chloro-5-(5-{[1-(4-ethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
Compound characteristics
| Compound ID: | 4489-8868 |
| Compound Name: | propan-2-yl 2-chloro-5-(5-{[1-(4-ethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate |
| Molecular Weight: | 478.93 |
| Molecular Formula: | C26 H23 Cl N2 O5 |
| Smiles: | CCc1ccc(cc1)N1C(C(=C/c2ccc(c3ccc(c(c3)C(=O)OC(C)C)[Cl])o2)\C(N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8991 |
| logD: | 5.8142 |
| logSw: | -6.0085 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.762 |
| InChI Key: | IWANSPYEHJHTLX-UHFFFAOYSA-N |