SMILES:
COc1cc(-c2csc3c(C(=O)NCCN(CCO)CCO)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1CMolecular Processing
Molecular formula
C31H34N6O5S
Molecular weight
602.72
Exact mass
602.2311
XLogP
3.31
TPSA
154.97
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
43
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.258
Molar refractivity
169.84
Supplementary Information
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