C1CN(C(CC1=O)C2=CN=CN=C2)S(=O)(=O)C3=CC=C(C=C3)Cl
이름: 1-(4-chlorophenyl)sulfonyl-2-pyrimidin-5-ylpiperidin-4-one
SMILES: C1CN(C(CC1=O)C2=CN=CN=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Molecular Processing

Molecular formula
C15H14ClN3O3S
Molecular weight
351.82
Exact mass
351.0444
XLogP
2.22
TPSA
80.23
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
84.36

Supplementary Information

InChIKey: NFKGGDIYTBYWBU-UHFFFAOYSA-N
동의어
SCHEMBL3078349NFKGGDIYTBYWBU-UHFFFAOYSA-N1-(4-chlorophenylsulfonyl)-2-(pyrimidin-5-yl)piperidin-4-one
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