SMILES:
Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NC4CCCC(C)C4C)cc3)c2)o1Molecular Processing
Molecular formula
C25H29N3O2
Molecular weight
403.53
Exact mass
403.226
XLogP
5.57
TPSA
68.02
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
118.08
Supplementary Information
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