이름: [4-(3-cyano-1-cyclobutyl-6-methoxy-1H-indol-2-yl)-phenyl]-carbamic acid isopropyl ester
SMILES:
COc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1Molecular Processing
Molecular formula
C24H25N3O3
Molecular weight
403.48
Exact mass
403.1896
XLogP
5.87
TPSA
76.28
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
116.77
Supplementary Information
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