SMILES:
C[C@@](CO)(C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cnn[nH]1)C(=O)OCCN1CCCCC1Molecular Processing
Molecular formula
C29H37N5O4
Molecular weight
519.65
Exact mass
519.2846
XLogP
3.23
TPSA
120.44
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.448
Molar refractivity
144.28
Supplementary Information
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