SMILES:
COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCCC1)CCC(=O)N2CMolecular Processing
Molecular formula
C21H25N5O4
Molecular weight
411.46
Exact mass
411.1907
XLogP
3.04
TPSA
107.89
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
112.9
Supplementary Information
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