SMILES:
Cc1nc(-c2ccc(C(C)N3CCC(CC(C)(C)O)(c4ccccc4)OC3=O)cc2)sc1CMolecular Processing
Molecular formula
C27H32N2O3S
Molecular weight
464.63
Exact mass
464.2134
XLogP
6.39
TPSA
62.66
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
132.28
Supplementary Information
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