CC(=O)N1CC2CC(=C(C(C1)N2C(=O)OC(C)(C)C(Cl)(Cl)Cl)C(=O)O)C3=CC=C(C=C3)OCCOC4=C(C=CC(=C4)F)Cl
Nom: 3-acetyl-7-[4-[2-(2-chloro-5-fluorophenoxy)ethoxy]phenyl]-9-(1,1,1-trichloro-2-methylpropan-2-yl)oxycarbonyl-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxylic acid
SMILES: CC(=O)N1CC2CC(=C(C(C1)N2C(=O)OC(C)(C)C(Cl)(Cl)Cl)C(=O)O)C3=CC=C(C=C3)OCCOC4=C(C=CC(=C4)F)Cl

Molecular Processing

Molecular formula
C29H29Cl4FN2O7
Molecular weight
678.37
Exact mass
676.0713
XLogP
6.37
TPSA
105.61
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
43
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.414
Molar refractivity
160.53

Supplementary Information

InChIKey: VOACAPNUDGTFEX-UHFFFAOYSA-N
Synonymes
SCHEMBL2471249SCHEMBL2471253VOACAPNUDGTFEX-UHFFFAOYSA-N3-Acetyl-7-{4-[2-(2-chloro-5-fluorophenoxy)ethoxy]phenyl}-3,9-diazabicyclo-[3.3.1]non-6-ene-6,9-dicarboxylic acid 9-(2,2,2-trichloro-1,1-dimethylethyl) ester3-Acetyl-7-{4-[2-(2-chloro-5-fluorophenoxy)ethoxy]phenyl}-3,9-diazabicyclo-[3.3.1]non-6-ene-6,9-dicarboxylic acid 9-(2,2,2-trichloro-1,1-dimethylethyl)ester
Voir la source →
Impliqué dans 9 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→