Cc1[nH]c(C=C2C(=O)N(C)c3ncnc(Nc4ccc(F)c(Cl)c4)c32)c(C)c1CCCN1CCOCC1
SMILES: Cc1[nH]c(C=C2C(=O)N(C)c3ncnc(Nc4ccc(F)c(Cl)c4)c32)c(C)c1CCCN1CCOCC1

Molecular Processing

Molecular formula
C27H30ClFN6O2
Molecular weight
525.03
Exact mass
524.2103
XLogP
4.74
TPSA
86.38
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.37
Molar refractivity
143.85

Supplementary Information

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