CCNC(=O)C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)N3CC(=C(C4=CC(=CC(=C4)F)F)S(=O)(=O)C)C3
الاسم: 4-[(4-chlorophenyl)-[3-[(3,5-difluorophenyl)-methylsulfonylmethylidene]azetidin-1-yl]methyl]-N-ethylbenzamide
SMILES: CCNC(=O)C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)N3CC(=C(C4=CC(=CC(=C4)F)F)S(=O)(=O)C)C3

Molecular Processing

Molecular formula
C27H25ClF2N2O3S
Molecular weight
531.02
Exact mass
530.1242
XLogP
5.23
TPSA
66.48
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
137.44

Supplementary Information

InChIKey: GLXILTSCZKNOJQ-UHFFFAOYSA-N
مرادفات
SCHEMBL5075647GLXILTSCZKNOJQ-UHFFFAOYSA-N(RS)-1-{(4-chloro-phenyl)[4-(N-ethylcarbamoyl)phenyl]methyl}-3-[(3,5-difluorophenyl)(methylsulfonyl)methylene]azetidine(RS)-1-{(4-chlorophenyl)[4-(N-ethylcarbamoyl)-phenyl]methyl}-3-[(3,5-difluorophenyl)(methylsulfonyl)methylene]azetidine(RS)-1-{(4-chlorophenyl)[4-(N-ethylcarbamoyl)phenyl]methyl}-3-[(3,5-difluorophenyl)(methylsulfonyl)methylene]azetidine
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