C=C(C)C(C(=O)OC1c2ccccc2-c2ccccc21)N1C(=O)C(NC(=O)Cc2ccccc2)C1SSc1nc2ccccc2s1
SMILES: C=C(C)C(C(=O)OC1c2ccccc2-c2ccccc21)N1C(=O)C(NC(=O)Cc2ccccc2)C1SSc1nc2ccccc2s1

Molecular Processing

Molecular formula
C36H29N3O4S3
Molecular weight
663.85
Exact mass
663.132
XLogP
7.19
TPSA
88.6
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
46
Rings
7
Aromatic rings
5
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
184.19

Supplementary Information

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