ChemDiv3_008899
3-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid
Also Known As: ChemDiv3_008899|IDI1_026809|SR-01000125312-1|BRD-A09569706-001-01-7|(1r,3r)-3-(5-chloro-4-((4-fluorobenzyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid|3-(5-CHLORO-4-{[(4-FLUOROPHENYL)METHYL]AMINO}-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL)ADAMANTANE-1-CARBOXYLIC ACID|3-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid|3-{5-chloro-4-[(4-fluorobenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid
| Molecular Formula | C22H23ClFN3O3 |
|---|---|
| Molecular Weight | 431.1412 g/mol |
| LogP | 4.028 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.1412 |
| Monoisotopic Mass | 431.1412 |
| Heavy Atoms | 30 |
| Complexity | 1054.2877 |
Chemical Identifiers
| CAS Number | 900280-66-2 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=CC=C(C=C5)F)Cl)C(=O)O |
Product Overview
ChemDiv3_008899 (CAS 900280-66-2), with molecular formula C22H23ClFN3O3 and molecular weight 431.1412 g/mol. IUPAC: 3-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid.
ChemDiv3_008899 is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »