4-(5-{[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid
Chemical Structure Depiction of
4-(5-{[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid
4-(5-{[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid
Compound characteristics
| Compound ID: | 2082-0136 |
| Compound Name: | 4-(5-{[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid |
| Molecular Weight: | 487.69 |
| Molecular Formula: | C21 H12 Br Cl N2 O5 |
| Smiles: | C(=C1/C(NN(C1=O)c1ccc(cc1)[Br])=O)\c1ccc(c2ccc(C(O)=O)c(c2)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 4.5619 |
| logD: | -0.0836 |
| logSw: | -4.4433 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.738 |
| InChI Key: | RTHXSOWQONIRTR-YBEGLDIGSA-N |