AC1OFF2Y

(3aS,6aS)-5-(3-methoxyphenyl)-3-(quinoline-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione

Also Known As: (3aS,6aS)-5-(3-methoxyphenyl)-3-(quinolin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione|(3aS,6aS)-5-(3-methoxyphenyl)-3-(quinoline-2-carbonyl)-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione|(3aS,6aS)-5-(3-methoxyphenyl)-3-(quinoline-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione

Molecular Formula	C22H16N4O4
Molecular Weight	400.11716 g/mol
LogP	1.9435
Topological Polar Surface Area	100.96 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	400.11716
Monoisotopic Mass	400.11716
Heavy Atoms	30
Complexity	1252.626

Chemical Identifiers

CAS Number	312964-69-5
SMILES	COC1=CC=CC(=C1)N2C(=O)[C@H]3[C@@H](C2=O)NN=C3C(=O)C4=NC5=CC=CC=C5C=C4