AC1OAKV1

5-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzene-1,3-dicarboxylic acid

Also Known As: CCG-4444|SR-01000231903-1|(E)-5-(3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)isophthalic acid|5-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid|5-[2,5-dimethyl-3-(1,2,4-triazol-4-yliminomethyl)pyrrol-1-yl]benzene-1,3-dicarboxylic Acid|5-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzene-1,3-dicarboxylic acid

Molecular Formula	C17H15N5O4
Molecular Weight	353.1124 g/mol
LogP	1.96424
Topological Polar Surface Area	122.6 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	353.1124
Monoisotopic Mass	353.1124
Heavy Atoms	26
Complexity	985.9553

Chemical Identifiers

CAS Number	347386-89-4
SMILES	CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)/C=N/N3C=NN=C3