C=CCOC(=O)C1(NC(=O)c2cnc3n2C(C)(Cc2ccc(I)cc2)C(=O)N3c2cc(Cl)cc(Cl)c2)CC1
SMILES: C=CCOC(=O)C1(NC(=O)c2cnc3n2C(C)(Cc2ccc(I)cc2)C(=O)N3c2cc(Cl)cc(Cl)c2)CC1

Molecular Processing

Molecular formula
C27H23Cl2IN4O4
Molecular weight
665.31
Exact mass
664.0141
XLogP
5.42
TPSA
93.53
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
152.93

Supplementary Information

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