Cc1ccccc1-n1nc(C(=O)NCCC2CCN(c3ccncc3)CC2)c(C)c1NC(=O)c1ccccc1Cl
SMILES: Cc1ccccc1-n1nc(C(=O)NCCC2CCN(c3ccncc3)CC2)c(C)c1NC(=O)c1ccccc1Cl

Molecular Processing

Molecular formula
C31H33ClN6O2
Molecular weight
557.1
Exact mass
556.2354
XLogP
5.83
TPSA
92.15
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
40
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.29
Molar refractivity
158.57

Supplementary Information

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