SMILES:
Cc1ccc2ccccc2c1CSC1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1.ClMolecular Processing
Molecular formula
C27H25ClN2S
Molecular weight
445.03
Exact mass
444.1427
XLogP
7.25
TPSA
24.39
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.148
Molar refractivity
136.16
Supplementary Information
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