SMILES:
CC(C)(N)C#Cc1ccc(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)s1Molecular Processing
Molecular formula
C22H31N5S
Molecular weight
397.59
Exact mass
397.23
XLogP
4.02
TPSA
75.86
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
118.43
Supplementary Information
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