SMILES:
O=C(O)C1(CCCn2c(=O)cnc3ccccc32)CCN(CCSc2cccs2)CC1Molecular Processing
Molecular formula
C23H27N3O3S2
Molecular weight
457.62
Exact mass
457.1494
XLogP
4.2
TPSA
75.43
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
126.02
Supplementary Information
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