C=CCOC(=O)C1(NC(=O)c2cnc3n2C(C)(Cc2ccc(-n4cncn4)cc2)C(=O)N3c2cc(Cl)cc(Cl)c2)CC1
SMILES: C=CCOC(=O)C1(NC(=O)c2cnc3n2C(C)(Cc2ccc(-n4cncn4)cc2)C(=O)N3c2cc(Cl)cc(Cl)c2)CC1

Molecular Processing

Molecular formula
C29H25Cl2N7O4
Molecular weight
606.47
Exact mass
605.1345
XLogP
4.4
TPSA
124.24
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
42
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.241
Molar refractivity
155.13

Supplementary Information

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