SMILES:
O=C(OC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCN(C(=O)C2CCCCC2)CC1Molecular Processing
Molecular formula
C28H28ClN5O4
Molecular weight
534.02
Exact mass
533.183
XLogP
4.8
TPSA
95.94
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
38
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.393
Molar refractivity
141.75
Supplementary Information
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