COc1ccc(CN(c2ccc(C)cn2)c2cc(Cl)nn3ccnc23)cc1
SMILES: COc1ccc(CN(c2ccc(C)cn2)c2cc(Cl)nn3ccnc23)cc1

Molecular Processing

Molecular formula
C20H18ClN5O
Molecular weight
379.85
Exact mass
379.12
XLogP
4.43
TPSA
55.55
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
27
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
0.15
Molar refractivity
105.81

Supplementary Information

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