이름: (4S,6R)-5-(4-chlorophenyl)sulfonyl-4,6-dimethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILES:
CC1CC2=C(C=NN2)C(N1S(=O)(=O)C3=CC=C(C=C3)Cl)CMolecular Processing
Molecular formula
C14H16ClN3O2S
Molecular weight
325.82
Exact mass
325.0652
XLogP
2.76
TPSA
66.06
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
80.65
Supplementary Information
InChIKey: VSORWHCBJZKYIQ-ZJUUUORDSA-N
동의어
SCHEMBL3074757VSORWHCBJZKYIQ-ZJUUUORDSA-Ncis-5-(4-Chlorophenylsulfonyl)-4,6-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
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