AC1NRO3D structure

AC1NRO3D

1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3-ethoxy-4-pentoxyphenyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione

Also Known As: 1-(5-{[(2,4-Dichlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-4-[hydroxy(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione|1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3-ethoxy-4-pentoxyphenyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione

CAS: 7067-64-3
Molecular Formula C35H33Cl2N5O5S2
Molecular Weight 737.13 g/mol
LogP 8.68732
Topological Polar Surface Area 119.15 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 10
Rotatable Bonds 13
Exact Mass 737.13
Monoisotopic Mass 737.13
Heavy Atoms 49
Complexity 2063.1409

Chemical Identifiers

CAS Number 7067-64-3
SMILES CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=C(N=C4N3C=CC=C4)C)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=C(C=C(C=C6)Cl)Cl)OCC

Product Overview

AC1NRO3D (CAS 7067-64-3), with molecular formula C35H33Cl2N5O5S2 and molecular weight 737.13 g/mol. IUPAC: 1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3-ethoxy-4-pentoxyphenyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione.

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