이름: tert-butyl (1S,2R)-2-(4-cyano-3-(1-methyl-1H-indol-4-ylamino)phenylamino)cyclohexylcarbamate
SMILES:
Cn1ccc2c(Nc3cc(N[C@@H]4CCCC[C@@H]4NC(=O)OC(C)(C)C)ccc3C#N)cccc21Molecular Processing
Molecular formula
C27H33N5O2
Molecular weight
459.59
Exact mass
459.2634
XLogP
6.04
TPSA
91.11
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
136.4
Supplementary Information
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