3-[5-chloro-4-{[(furan-2-yl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Chemical Structure Depiction of
3-[5-chloro-4-{[(furan-2-yl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
3-[5-chloro-4-{[(furan-2-yl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Compound characteristics
| Compound ID: | C301-2165 |
| Compound Name: | 3-[5-chloro-4-{[(furan-2-yl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid |
| Molecular Weight: | 403.86 |
| Molecular Formula: | C20 H22 Cl N3 O4 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(C(=C(C=N1)NCc1ccco1)[Cl])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.345 |
| logD: | 1.0593 |
| logSw: | -3.4373 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.975 |
| InChI Key: | CWSUGFSITARRHX-UHFFFAOYSA-N |