NC(=O)C1(c2ccccc2CCc2nc(Nc3ccc(C4CCNCC4)nc3)ncc2Cl)CC1
SMILES: NC(=O)C1(c2ccccc2CCc2nc(Nc3ccc(C4CCNCC4)nc3)ncc2Cl)CC1

Molecular Processing

Molecular formula
C26H29ClN6O
Molecular weight
477.01
Exact mass
476.2091
XLogP
4.04
TPSA
105.82
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
133.36

Supplementary Information

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