SMILES:
CCCn1c(=O)c2[nH]c(C3C4C5CC3C(COCc3ccccc3)(C(=O)O)C54)nc2n(CCC)c1=OMolecular Processing
Molecular formula
C27H32N4O5
Molecular weight
492.58
Exact mass
492.2373
XLogP
2.97
TPSA
119.21
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
36
Rings
7
Aromatic rings
3
Saturated rings
4
Aliphatic rings
4
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
132.68
Supplementary Information
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