SMILES:
CC(C)[C@H](CO)Nc1nc(N2CCN(c3ccc(Cl)cc3)CC2)nc2c1S(=O)CC2Molecular Processing
Molecular formula
C21H28ClN5O2S
Molecular weight
450.01
Exact mass
449.1652
XLogP
2.55
TPSA
81.59
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
122.22
Supplementary Information
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