AC1NKMTS
1-[5-chloro-4-[(2-methoxyphenyl)methylamino]-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid
Also Known As: SR-01000099792-1|(1S,2R,3S,5R,7S)-1-(5-chloro-4-((2-methoxybenzyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-2-carboxylic acid|1-(5-CHLORO-4-{[(2-METHOXYPHENYL)METHYL]AMINO}-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL)ADAMANTANE-2-CARBOXYLIC ACID|1-[5-chloro-4-[(2-methoxyphenyl)methylamino]-6-oxo-pyridazin-1-yl]adamantane-2-carboxylic Acid|1-[5-chloro-4-[(2-methoxyphenyl)methylamino]-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid|1-{5-chloro-4-[(2-methoxybenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid
| Molecular Formula | C23H26ClN3O4 |
|---|---|
| Molecular Weight | 443.1612 g/mol |
| LogP | 3.7534 |
| Topological Polar Surface Area | 93.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.1612 |
| Monoisotopic Mass | 443.1612 |
| Heavy Atoms | 31 |
| Complexity | 1070.7316 |
Chemical Identifiers
| CAS Number | 1024286-85-8 |
|---|---|
| SMILES | COC1=CC=CC=C1CNC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4C(=O)O)Cl |
Product Overview
AC1NKMTS (CAS 1024286-85-8), with molecular formula C23H26ClN3O4 and molecular weight 443.1612 g/mol. IUPAC: 1-[5-chloro-4-[(2-methoxyphenyl)methylamino]-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid.