CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)C#N
名称: tert-butyl 4-[4-[[5-(4-cyanophenyl)furan-2-carbonyl]amino]phenyl]piperazine-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)C#N

Molecular Processing

Molecular formula
C27H28N4O4
Molecular weight
472.55
Exact mass
472.2111
XLogP
5.13
TPSA
98.81
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
133.27

Supplementary Information

InChIKey: TZYQQQBVRUYXDR-UHFFFAOYSA-N
同義語
t-butyl 4-(4-(5-(4-cyanophenyl)furan-2-carboxamido)phenyl)piperazine-1-carboxylatetert-butyl 4-(4-(5-(4-cyanophenyl)furan-2-carboxamido)phenyl)piperazine-1-carboxylate
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