AC1L77LK

ethyl 4-[[N-tert-butyl-C-[6-tert-butylimino-3-cyano-3-ethoxycarbonyl-6-(4-ethoxycarbonylanilino)hexyl]carbonimidoyl]amino]benzoate

Also Known As: ethyl 4-[tert-butyl-[7-(N-tert-butyl-4-ethoxycarbonylanilino|ethyl 4-[[N-tert-butyl-C-[6-tert-butylimino-3-cyano-3-ethoxycarbonyl-6-(4-ethoxycarbonylanilino)hexyl]carbonimidoyl]amino]benzoate|ethyl 4-[[N-tert-butyl-C-[6-tert-butylimino-3-cyano-3-ethoxycarbonyl-6-[(4-ethoxycarbonylphenyl)amino]hexyl]carbonimidoyl]amino]benzoate

Molecular Formula	C37H51N5O6
Molecular Weight	661.3839 g/mol
LogP	5.1
Topological Polar Surface Area	151.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	21
Exact Mass	661.3839
Monoisotopic Mass	661.3839
Heavy Atoms	48
Complexity	1090.0

Chemical Identifiers

CAS Number	77381-16-9
SMILES	CCOC(=O)C1=CC=C(C=C1)NC(=NC(C)(C)C)CCC(CCC(=NC(C)(C)C)NC2=CC=C(C=C2)C(=O)OCC)(C#N)C(=O)OCC
InChIKey	BWCSBXMOVPBOPE-UHFFFAOYSA-N