SMILES:
O=C(N[C@@H]1CO[C@@H](c2ccccc2)CN(CC2CC2)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1Molecular Processing
Molecular formula
C27H32N6O4
Molecular weight
504.59
Exact mass
504.2485
XLogP
2.45
TPSA
112.56
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
37
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
136.96
Supplementary Information
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