AC1LOITQ

3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid

Also Known As: Oprea1_531998|3-{[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}pyrazine-2-carboxylic acid|3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)pyrazine-2-carboxylic acid|3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid|3-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic Acid|3-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}pyrazine-2-carboxylic acid

Molecular Formula	C18H18N4O5
Molecular Weight	370.12772 g/mol
LogP	0.8615
Topological Polar Surface Area	105.09 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	370.12772
Monoisotopic Mass	370.12772
Heavy Atoms	27
Complexity	879.8057

Chemical Identifiers

CAS Number	565191-72-2
SMILES	C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=NC=CN=C4C(=O)O