SMILES:
COc1ccc(-c2ccccc2)cc1NC(=O)N1CCc2c(cnc3[nH]ncc23)C1Molecular Processing
Molecular formula
C23H21N5O2
Molecular weight
399.45
Exact mass
399.1695
XLogP
4.22
TPSA
83.14
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
115.45
Supplementary Information
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