SMILES:
C=C(C)C(C(=O)OCc1ccc(OC)cc1)N1C(=O)C(NC(=O)Cc2ccccc2)C1SSc1nc2ccccc2s1Molecular Processing
Molecular formula
C31H29N3O5S3
Molecular weight
619.79
Exact mass
619.1269
XLogP
5.63
TPSA
97.83
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
42
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.226
Molar refractivity
167.17
Supplementary Information
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