AC1NKD3M
1-[5-chloro-4-(3-hydroxyanilino)-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid
Also Known As: SR-01000099820-1|1-{5-chloro-4-[(3-hydroxyphenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid|1-[5-chloro-4-(3-hydroxyanilino)-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid|1-[5-chloro-4-[(3-hydroxyphenyl)amino]-6-oxo-pyridazin-1-yl]adamantane-2-carboxylic Acid|(1S,2R,3S,5R,7S)-1-(5-chloro-4-((3-hydroxyphenyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid|1-{5-CHLORO-4-[(3-HYDROXYPHENYL)AMINO]-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL}ADAMANTANE-2-CARBOXYLIC ACID
| Molecular Formula | C21H22ClN3O4 |
|---|---|
| Molecular Weight | 415.12988 g/mol |
| LogP | 3.5819 |
| Topological Polar Surface Area | 104.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.12988 |
| Monoisotopic Mass | 415.12988 |
| Heavy Atoms | 29 |
| Complexity | 1038.462 |
Chemical Identifiers
| CAS Number | 1024362-91-1 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3C(=O)O)N4C(=O)C(=C(C=N4)NC5=CC(=CC=C5)O)Cl |
Product Overview
AC1NKD3M (CAS 1024362-91-1), with molecular formula C21H22ClN3O4 and molecular weight 415.12988 g/mol. IUPAC: 1-[5-chloro-4-(3-hydroxyanilino)-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid.
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