C[C@@H](Nc1cc(N2CCC(N3CCC(NC(N)=O)C3)CC2)ccc1Cl)c1ccc(Cl)cc1Cl
SMILES: C[C@@H](Nc1cc(N2CCC(N3CCC(NC(N)=O)C3)CC2)ccc1Cl)c1ccc(Cl)cc1Cl

Molecular Processing

Molecular formula
C24H30Cl3N5O
Molecular weight
510.9
Exact mass
509.1516
XLogP
5.53
TPSA
73.63
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
137.88

Supplementary Information

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