CCOC(=O)Cc1ccc(OC)c(Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2CN(CC)C(C)=O)c1
SMILES: CCOC(=O)Cc1ccc(OC)c(Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2CN(CC)C(C)=O)c1

Molecular Processing

Molecular formula
C29H31ClN2O6
Molecular weight
539.03
Exact mass
538.1871
XLogP
5.87
TPSA
94.17
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
38
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.276
Molar refractivity
146.02

Supplementary Information

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