이름: 5-cyano-6-(4-ethoxy-2-nitro-5-phenoxy-phenyl)-4-(tetrahydro-pyran-4-yl)-hex-5-enoic acid (3,3-dimethyl-butyl)-amide
SMILES:
CCOc1cc([N+](=O)[O-])c(C=C(C#N)C(CCC(=O)NCCC(C)(C)C)C2CCOCC2)cc1Oc1ccccc1Molecular Processing
Molecular formula
C32H41N3O6
Molecular weight
563.7
Exact mass
563.2995
XLogP
7.07
TPSA
123.72
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
13
Heavy atoms
41
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
157.72
Supplementary Information
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