COC(=O)[C@H](Cc1ccc(-c2ccccc2OC)cc1)NC(=O)c1c(Cl)cccc1Cl
Nombre: N-(2,6-dichlorobenzoyl)-4-(2-methoxyphenyl)-L-phenylalanine methyl ester
SMILES: COC(=O)[C@H](Cc1ccc(-c2ccccc2OC)cc1)NC(=O)c1c(Cl)cccc1Cl

Molecular Processing

Molecular formula
C24H21Cl2NO4
Molecular weight
458.34
Exact mass
457.0848
XLogP
5.18
TPSA
64.63
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
121.87

Supplementary Information

Obteniendo detalles…

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