AC1MIG6B

2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[(4-cyanophenyl)carbamoylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]hexanamide

Also Known As: EINECS 304-963-0|2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-N-(4-((((4-cyanophenyl)amino)carbonyl)amino)-3,6-dioxocyclohexa-1,4-dien-1-yl)hexanamide|2-[2,4-BIS(1,1-DIMETHYLPROPYL)PHENOXY]-N-[4-[[[(4-CYANOPHENYL)AMINO]CARBONYL]AMINO]-3,6-DIOXOCYCLOHEXA-1,4-DIEN-1-YL]HEXANAMIDE|2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[[(4-cyanophenyl)amino]carbonyl]amino]-3,6-dioxo-1,4-cyclohexadien-1-yl]hexanamide|2-[2,4-Bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-cyanoanilino)(hydroxy)methylidene]amino}-3,6-dioxocyclohexa-1,4-dien-1-yl)hexanimidic acid|2-[2,4-BIS(2-METHYLBUTAN-2-YL)PHENOXY]-N-(4-{[(4-CYANOPHENYL)CARBAMOYL]AMINO}-3,6-DIOXOCYCLOHEXA-1,4-DIEN-1-YL)HEXANAMIDE|2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[(4-cyanophenyl)carbamoylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]hexanamide

Molecular Formula	C36H44N4O5
Molecular Weight	612.3312 g/mol
LogP	6.72858
Topological Polar Surface Area	137.39 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	13
Exact Mass	612.3312
Monoisotopic Mass	612.3312
Heavy Atoms	45
Complexity	1544.0073

Chemical Identifiers

CAS Number	94313-65-2
SMILES	CCCCC(C(=O)NC1=CC(=O)C(=CC1=O)NC(=O)NC2=CC=C(C=C2)C#N)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC