SMILES:
CC(=O)N1CCC(c2cccnc2O[C@H]2C[C@@H](Nc3nc4ccccc4s3)C2)CC1Molecular Processing
Molecular formula
C23H26N4O2S
Molecular weight
422.55
Exact mass
422.1776
XLogP
4.44
TPSA
67.35
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
119.15
Supplementary Information
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