CC1(C)N=CC2=C3N=C(CCc4ccccc4)N=C3C(=O)CC2C1=O
SMILES: CC1(C)N=CC2=C3N=C(CCc4ccccc4)N=C3C(=O)CC2C1=O

Molecular Processing

Molecular formula
C20H19N3O2
Molecular weight
333.39
Exact mass
333.1477
XLogP
2.75
TPSA
71.22
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
1
Saturated rings
0
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
97.35

Supplementary Information

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