ethyl 4-{[1-(3-acetamidoadamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[1-(3-acetamidoadamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}benzoate
ethyl 4-{[1-(3-acetamidoadamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}benzoate
Compound characteristics
| Compound ID: | C301-3367 |
| Compound Name: | ethyl 4-{[1-(3-acetamidoadamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}benzoate |
| Molecular Weight: | 484.98 |
| Molecular Formula: | C25 H29 Cl N4 O4 |
| Smiles: | CCOC(c1ccc(cc1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(C2)NC(C)=O)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1348 |
| logD: | 4.1347 |
| logSw: | -4.352 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.496 |
| InChI Key: | DPRULLSOVMRURI-UHFFFAOYSA-N |