AC1LQ7IF structure

AC1LQ7IF

methyl 4-[5-[(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-3-methylbenzoate

Also Known As: AB00119392-01|methyl 4-(5-{(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoate|(Z)-methyl 4-(5-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)-3-methylbenzoate|methyl 4-[5-[(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-3-methylbenzoate

CAS: 431997-48-7
Molecular Formula C24H17FN2O5S
Molecular Weight 464.08423 g/mol
LogP 4.01202
Topological Polar Surface Area 88.85 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 464.08423
Monoisotopic Mass 464.08423
Heavy Atoms 33
Complexity 1326.8774

Chemical Identifiers

CAS Number 431997-48-7
SMILES CC1=C(C=CC(=C1)C(=O)OC)C2=CC=C(O2)/C=C\3/C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F

Product Overview

AC1LQ7IF (CAS 431997-48-7), with molecular formula C24H17FN2O5S and molecular weight 464.08423 g/mol. IUPAC: methyl 4-[5-[(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-3-methylbenzoate.

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