Name: 4-((3-(piperidin-1-yl)propyl)amino)-9H-pyrimido[4,5-b]indole-7-carbonitrile
SMILES:
N#Cc1ccc2c(c1)[nH]c1ncnc(NCCCN3CCCCC3)c12Molecular Processing
Molecular formula
C19H22N6
Molecular weight
334.43
Exact mass
334.1906
XLogP
3.27
TPSA
80.63
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
25
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
0.421
Molar refractivity
99.51
Supplementary Information
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