SMILES:
CC1CC(C)CN(Cc2cccc(OCCCNc3nnc(N)s3)c2)C1Molecular Processing
Molecular formula
C19H29N5OS
Molecular weight
375.54
Exact mass
375.2093
XLogP
3.48
TPSA
76.3
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
107.59
Supplementary Information
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