C1CN(C(CC1=O)C2=CC=C(C=C2)Cl)C(=O)OCC3=CC=CC=C3
名称: benzyl 2-(4-chlorophenyl)-4-oxopiperidine-1-carboxylate
SMILES: C1CN(C(CC1=O)C2=CC=C(C=C2)Cl)C(=O)OCC3=CC=CC=C3

Molecular Processing

Molecular formula
C19H18ClNO3
Molecular weight
343.81
Exact mass
343.0975
XLogP
4.38
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
91.77

Supplementary Information

InChIKey: KFTPQNQURGTUJT-UHFFFAOYSA-N
同義語
benzyl 2-(4-chlorophenyl)-4-oxopiperidine-1-carboxylateSCHEMBL3056493KFTPQNQURGTUJT-UHFFFAOYSA-N
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