SMILES:
CN1CCC(N2CCN(C(=O)C(Cc3ccccn3)NC(=O)c3cc4ccc(Cl)cc4s3)CC2)CC1Molecular Processing
Molecular formula
C27H32ClN5O2S
Molecular weight
526.11
Exact mass
525.1965
XLogP
3.53
TPSA
68.78
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
144.7
Supplementary Information
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