1-[4-(5-carboxy-2-methylanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-[4-(5-carboxy-2-methylanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
1-[4-(5-carboxy-2-methylanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0006 |
| Compound Name: | 1-[4-(5-carboxy-2-methylanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid |
| Molecular Weight: | 457.91 |
| Molecular Formula: | C23 H24 Cl N3 O5 |
| Smiles: | Cc1ccc(cc1NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2C(O)=O)C1)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.659 |
| logD: | 1.1911 |
| logSw: | -3.9405 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.079 |
| InChI Key: | ZHZTVDTULIWDTL-UHFFFAOYSA-N |