SMILES:
O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CC2CNCCN2C(=O)OCc2ccccc2)CC1Molecular Processing
Molecular formula
C24H29Cl2N5O3
Molecular weight
506.43
Exact mass
505.1647
XLogP
3.75
TPSA
77.15
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
133.48
Supplementary Information
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