Name: 1-benzyl-2-isopropyl-5-(tetrahydropyran-2-yloxy)-1H-indole-3-carboxylic acid, ethyl ester
SMILES:
CCOC(=O)c1c(C(C)C)n(Cc2ccccc2)c2ccc(OC3CCCCO3)cc12Molecular Processing
Molecular formula
C26H31NO4
Molecular weight
421.54
Exact mass
421.2253
XLogP
5.9
TPSA
49.69
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
121.75
Supplementary Information
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