CCCc1nc2cc(N(Cc3ccccc3)C(=O)c3cccc(Cl)c3)ccc2n1CC(=O)OC(C)(C)C
SMILES: CCCc1nc2cc(N(Cc3ccccc3)C(=O)c3cccc(Cl)c3)ccc2n1CC(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C30H32ClN3O3
Molecular weight
518.06
Exact mass
517.2132
XLogP
6.83
TPSA
64.43
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
37
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
147.98

Supplementary Information

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