4-{5-chloro-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}benzoic acid
Chemical Structure Depiction of
4-{5-chloro-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}benzoic acid
4-{5-chloro-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}benzoic acid
Compound characteristics
| Compound ID: | C201-0842 |
| Compound Name: | 4-{5-chloro-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}benzoic acid |
| Molecular Weight: | 438.91 |
| Molecular Formula: | C23 H23 Cl N4 O3 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C1C=NN(C(C=1[Cl])=O)c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8006 |
| logD: | 2.4054 |
| logSw: | -4.529 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.355 |
| InChI Key: | IYDFZHCXGNKUMD-UHFFFAOYSA-N |