dimethyl 5-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}benzene-1,3-dicarboxylate
dimethyl 5-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C719-0005 |
| Compound Name: | dimethyl 5-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}benzene-1,3-dicarboxylate |
| Molecular Weight: | 471.94 |
| Molecular Formula: | C24 H26 Cl N3 O5 |
| Smiles: | COC(c1cc(cc(c1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2)C1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3281 |
| logD: | 5.3281 |
| logSw: | -6.0382 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.843 |
| InChI Key: | OMOPUSZAILHAFZ-UHFFFAOYSA-N |