SMILES:
CCCN(CCC)C1Cc2cc3c(cc2C1)C(=O)N(Cc1ccc(C#N)cc1)C3Molecular Processing
Molecular formula
C25H29N3O
Molecular weight
387.53
Exact mass
387.2311
XLogP
4.3
TPSA
47.34
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
114.53
Supplementary Information
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