SMILES:
CN1CCN(c2ccc(Nc3nc(N)c(C(=O)c4ccc5c(c4)OCO5)s3)cc2)CC1Molecular Processing
Molecular formula
C22H23N5O3S
Molecular weight
437.53
Exact mass
437.1522
XLogP
3.18
TPSA
92.95
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
121.96
Supplementary Information
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