CC(=O)c1ccc2c(c1)C(=CCCN1CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C1)c1cccnc1CO2
SMILES: CC(=O)c1ccc2c(c1)C(=CCCN1CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C1)c1cccnc1CO2

Molecular Processing

Molecular formula
C31H33ClN2O3
Molecular weight
517.07
Exact mass
516.218
XLogP
6.27
TPSA
62.66
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.355
Molar refractivity
146.9

Supplementary Information

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