1-[5-chloro-4-(3-hydroxyanilino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-[5-chloro-4-(3-hydroxyanilino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
1-[5-chloro-4-(3-hydroxyanilino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0093 |
| Compound Name: | 1-[5-chloro-4-(3-hydroxyanilino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid |
| Molecular Weight: | 415.88 |
| Molecular Formula: | C21 H22 Cl N3 O4 |
| Smiles: | C1C2CC3CC1CC(C2)(C3C(O)=O)N1C(C(=C(C=N1)Nc1cccc(c1)O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8777 |
| logD: | 0.5416 |
| logSw: | -3.0572 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.986 |
| InChI Key: | KDAMRHZWGVHROA-UHFFFAOYSA-N |