SMILES:
CC(Cl)=CCNC(C(=O)OCc1cccc(C(=O)c2ccccc2)n1)C(C)CMolecular Processing
Molecular formula
C22H25ClN2O3
Molecular weight
400.91
Exact mass
400.1554
XLogP
4.11
TPSA
68.29
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
110.15
Supplementary Information
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