CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)ccc(Cl)c1Cl
SMILES: CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)ccc(Cl)c1Cl

Molecular Processing

Molecular formula
C18H17Cl3N6O
Molecular weight
439.73
Exact mass
438.0529
XLogP
5.15
TPSA
105.82
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
114.12

Supplementary Information

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