SMILES:
COCCN1C[C@H](c2ccccc2)CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C1=OMolecular Processing
Molecular formula
C27H34N6O4
Molecular weight
506.61
Exact mass
506.2642
XLogP
2.49
TPSA
112.56
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
139.39
Supplementary Information
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