이름: 4-[(3S)-3-[3-(3,5-dichlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-2,6-difluorobenzenesulfonyl chloride
SMILES:
C1CN(CC1C2=CC(=CC(=C2)Cl)Cl)C3CCN(C3=O)C4=CC(=C(C(=C4)F)S(=O)(=O)Cl)FMolecular Processing
Molecular formula
C20H17Cl3F2N2O3S
Molecular weight
509.79
Exact mass
507.9994
XLogP
4.79
TPSA
57.69
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
115.55
Supplementary Information
InChIKey: JBCRJJPKSIAAAZ-MCEAHNFKSA-N
동의어
SCHEMBL829216JBCRJJPKSIAAAZ-MCEAHNFKSA-N4-[(3'S)-3-(3,5-Dichlorophenyl)-2'-oxo-1,3'-bipyrrolidin-1'-yl]-2,6-difluorobenzene-1-sulfonyl chloride
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