Name: Compound
SMILES:
CC1(C)CC(Nc2nccc(-c3ccc(C#CC4(N)CCCCC4)s3)n2)CC(C)(C)N1Molecular Processing
Molecular formula
C25H35N5S
Molecular weight
437.66
Exact mass
437.2613
XLogP
4.94
TPSA
75.86
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
130.16
Supplementary Information
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