AC1NKKPB
1-[4-(3-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid
Also Known As: SR-01000099824-1|1-{4-[(3-carboxyphenyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid|1-[4-(3-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid|1-[4-[(3-carboxyphenyl)amino]-5-chloro-6-oxo-pyridazin-1-yl]adamantane-2-carboxylic Acid|(1S,2R,3S,5R,7S)-1-(4-((3-carboxyphenyl)amino)-5-chloro-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid|1-{4-[(3-CARBOXYPHENYL)AMINO]-5-CHLORO-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL}ADAMANTANE-2-CARBOXYLIC ACID
| Molecular Formula | C22H22ClN3O5 |
|---|---|
| Molecular Weight | 443.1248 g/mol |
| LogP | 3.5745 |
| Topological Polar Surface Area | 121.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.1248 |
| Monoisotopic Mass | 443.1248 |
| Heavy Atoms | 31 |
| Complexity | 1132.2065 |
Chemical Identifiers
| CAS Number | 1024331-73-4 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3C(=O)O)N4C(=O)C(=C(C=N4)NC5=CC=CC(=C5)C(=O)O)Cl |
Product Overview
AC1NKKPB (CAS 1024331-73-4), with molecular formula C22H22ClN3O5 and molecular weight 443.1248 g/mol. IUPAC: 1-[4-(3-carboxyanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid.
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