AC1LYP6F

ethyl 1-(4-methylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate

Also Known As: (E)-ethyl 2-(3-(3-nitrophenyl)acrylamido)-1-(p-tolyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate|ethyl 1-(4-methylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate|ethyl 1-(4-methylphenyl)-2-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate

Molecular Formula	C29H23N5O5
Molecular Weight	521.1699 g/mol
LogP	5.61892
Topological Polar Surface Area	129.25 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	521.1699
Monoisotopic Mass	521.1699
Heavy Atoms	39
Complexity	1773.0715

Chemical Identifiers

CAS Number	373376-27-3
SMILES	CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)C)NC(=O)/C=C/C5=CC(=CC=C5)[N+](=O)[O-]