1-[5-chloro-4-(3-methoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-[5-chloro-4-(3-methoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
1-[5-chloro-4-(3-methoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0008 |
| Compound Name: | 1-[5-chloro-4-(3-methoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid |
| Molecular Weight: | 429.9 |
| Molecular Formula: | C22 H24 Cl N3 O4 |
| Smiles: | COc1cccc(c1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2C(O)=O)C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5608 |
| logD: | 1.2247 |
| logSw: | -3.811 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.913 |
| InChI Key: | GRHNBALWWGAKJN-UHFFFAOYSA-N |