methyl 2-chloro-5-(5-{[1-(4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
Chemical Structure Depiction of
methyl 2-chloro-5-(5-{[1-(4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
methyl 2-chloro-5-(5-{[1-(4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
Compound characteristics
| Compound ID: | 2082-0118 |
| Compound Name: | methyl 2-chloro-5-(5-{[1-(4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate |
| Molecular Weight: | 436.85 |
| Molecular Formula: | C23 H17 Cl N2 O5 |
| Smiles: | Cc1ccc(cc1)N1C(C(=C/c2ccc(c3ccc(c(c3)C(=O)OC)[Cl])o2)\C(N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6313 |
| logD: | 4.5464 |
| logSw: | -4.924 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.504 |
| InChI Key: | BHVYVPKZWPLXFB-UHFFFAOYSA-N |