CC(=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)OC(C)(C)C)C2S(=O)C1)Sc1nnc(C)s1
SMILES: CC(=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)OC(C)(C)C)C2S(=O)C1)Sc1nnc(C)s1

Molecular Processing

Molecular formula
C31H32N4O6S3
Molecular weight
652.82
Exact mass
652.1484
XLogP
5.25
TPSA
127.79
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
44
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.323
Molar refractivity
168.91

Supplementary Information

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