COC(=O)C(CC(C(C)=O)c1ccc(Cl)cc1)NC(=O)OC(C)(C)C
Name: methyl 2-[(tert-butoxycarbonyl)amino]-4-(4-chlorophenyl)-5-oxohexanoate
SMILES: COC(=O)C(CC(C(C)=O)c1ccc(Cl)cc1)NC(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C18H24ClNO5
Molecular weight
369.85
Exact mass
369.1343
XLogP
3.47
TPSA
81.7
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
25
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
94.66

Supplementary Information

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