SMILES:
CC1CN(Cc2cnc(-c3cccnc3N3CCC4(CC3)OCCO4)s2)CC(C)N1Molecular Processing
Molecular formula
C22H31N5O2S
Molecular weight
429.59
Exact mass
429.2198
XLogP
2.73
TPSA
62.75
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
30
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
118.76
Supplementary Information
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Involved in 2 reactions→