SMILES:
CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC#N)cc1Molecular Processing
Molecular formula
C24H23N5O2S
Molecular weight
445.55
Exact mass
445.1572
XLogP
4.09
TPSA
100.67
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.208
Molar refractivity
123.29
Supplementary Information
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