SMILES:
Cl.O=c1ccc2ncc(Cl)c3c2n1CC3CN1CC[C@H](NCc2cc3c(cn2)OCS3)[C@H](O)C1Molecular Processing
Molecular formula
C23H25Cl2N5O3S
Molecular weight
522.46
Exact mass
521.1055
XLogP
2.63
TPSA
92.51
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
34
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.435
Molar refractivity
134.28
Supplementary Information
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