COc1cccc(-n2nc(C(=O)NCCC3CCN(c4ccncc4)CC3)c(C)c2NC(=O)c2ccccc2Cl)c1
SMILES: COc1cccc(-n2nc(C(=O)NCCC3CCN(c4ccncc4)CC3)c(C)c2NC(=O)c2ccccc2Cl)c1

Molecular Processing

Molecular formula
C31H33ClN6O3
Molecular weight
573.1
Exact mass
572.2303
XLogP
5.53
TPSA
101.38
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
41
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.29
Molar refractivity
160.38

Supplementary Information

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