الاسم: 4-[4-nitro-2-(3,3,5,5-tetramethylcyclohex-1-enyl)phenyl]piperazine-1-carboxylic acid t-butyl ester
SMILES:
CC1(C)C=C(c2cc([N+](=O)[O-])ccc2N2CCN(C(=O)OC(C)(C)C)CC2)CC(C)(C)C1Molecular Processing
Molecular formula
C25H37N3O4
Molecular weight
443.59
Exact mass
443.2784
XLogP
5.88
TPSA
75.92
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
32
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.64
Molar refractivity
127.89
Supplementary Information
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