名称: Ethyl 3-{[(4-{[{5-[(6-chloropyridin-3-yl)methoxy]-3-methyl-1-benzofuran-2-yl}(cyclohexyl)methyl]amino}phenyl)carbonyl]amino}propanoate
SMILES:
CCOC(=O)CCNC(=O)c1ccc(NC(c2oc3ccc(OCc4ccc(Cl)nc4)cc3c2C)C2CCCCC2)cc1Molecular Processing
Molecular formula
C34H38ClN3O5
Molecular weight
604.15
Exact mass
603.25
XLogP
7.79
TPSA
102.69
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
43
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.382
Molar refractivity
167.49
Supplementary Information
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