Nombre: (±)-3,4-bis-cyclopropylmethoxy-N-[(1RS,2RS)-2-(3,4-dimethoxyphenyl)-5-oxo-cyclohexyl]benzamide
SMILES:
COc1ccc(C2CCC(=O)CC2NC(=O)c2ccc(OCC3CC3)c(OCC3CC3)c2)cc1OCMolecular Processing
Molecular formula
C29H35NO6
Molecular weight
493.6
Exact mass
493.2464
XLogP
4.92
TPSA
83.09
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
36
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.517
Molar refractivity
135.28
Supplementary Information
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