Name: acetic acid 1-[(acetylmethylamino)methyl]-2-{[1-(3′,4′-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarbonyl]methylamino}ethyl ester
SMILES:
CC(=O)CNCC(CNCC(=O)C1(c2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)CC1)OC(C)=OMolecular Processing
Molecular formula
C25H27Cl2FN2O4
Molecular weight
509.41
Exact mass
508.1332
XLogP
4.1
TPSA
84.5
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
129.75
Supplementary Information
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