SMILES:
CC1=C(C(=O)OCCC#N)C(c2cccc(Cl)c2)C(C(=O)NCCC(c2ccccc2)c2ccccc2)=C(OCCCl)N1CMolecular Processing
Molecular formula
C35H35Cl2N3O4
Molecular weight
632.59
Exact mass
631.2005
XLogP
6.91
TPSA
91.66
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
13
Heavy atoms
44
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
171.9
Supplementary Information
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