CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(Sc3cccnc3CSCCN(C)C(=O)OC(C)(C)C)CCC12)c1nc(N)sc1Cl
SMILES: CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(Sc3cccnc3CSCCN(C)C(=O)OC(C)(C)C)CCC12)c1nc(N)sc1Cl

Molecular Processing

Molecular formula
C41H44ClN7O7S3
Molecular weight
878.5
Exact mass
877.2153
XLogP
7.05
TPSA
178.64
H-bond donors
2
H-bond acceptors
14
Rotatable bonds
15
Heavy atoms
59
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
18
Covalent units
1
Fraction Csp3
0.341
Molar refractivity
229.85

Supplementary Information

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