C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)OCC(Cl)(Cl)Cl)S(=O)(=O)NCOC(=O)CCCCC(=O)O)Cl
이름: 6-[[[2-chloro-4-(furan-2-ylmethylamino)-5-(2,2,2-trichloroethoxycarbonyl)phenyl]sulfonylamino]methoxy]-6-oxohexanoic acid
SMILES: C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)OCC(Cl)(Cl)Cl)S(=O)(=O)NCOC(=O)CCCCC(=O)O)Cl

Molecular Processing

Molecular formula
C21H22Cl4N2O9S
Molecular weight
620.29
Exact mass
617.98
XLogP
4.5
TPSA
161.24
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
14
Heavy atoms
37
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
135.44

Supplementary Information

InChIKey: CSFQISYOCAQKDC-UHFFFAOYSA-N
동의어
SCHEMBL2954248CSFQISYOCAQKDC-UHFFFAOYSA-N6-(2-chloro-4-[(2-furanylmethyl)amino]-5-(2,2,2-trichloroethoxycarbonyl)phenylsulfonamidomethoxy)(6-oxo)hexanoic acid
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