COc1ccc2nccc(C(O)CN3CCC(CN(Cc4ccccc4)C(=O)[O-])C3)c2n1
SMILES: COc1ccc2nccc(C(O)CN3CCC(CN(Cc4ccccc4)C(=O)[O-])C3)c2n1

Molecular Processing

Molecular formula
C24H27N4O4-
Molecular weight
435.5
Exact mass
435.2038
XLogP
1.84
TPSA
101.85
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
-1
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
117.84

Supplementary Information

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