Nombre: 1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-3-(ethylamino)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one

SMILES: CCNC1=C(OC2=NC(=C(C=C12)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl)C(=O)C(C)(C)C

Molecular Processing

Molecular formula

C26H23Cl3N2O2

Molecular weight

501.84

Exact mass

500.0825

XLogP

8.78

TPSA

55.13

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.231

Molar refractivity

137.86

Supplementary Information

InChIKey: CVIHXTCAMAEXIG-UHFFFAOYSA-N

Sinónimos

SCHEMBL1627886CVIHXTCAMAEXIG-UHFFFAOYSA-N1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-3-(ethylamino)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one