MQ4W8T2SEL

2,4-dimethylpentan-3-yl 2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]benzoate

Also Known As: UC538|UC-538|NCI60_015550|Benzoic acid, 2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)-, 2-methyl-1-(1-methylethyl)propyl ester|Benzoic acid, 2-methyl-1-(1-methylethyl)propyl ester|2-Chloro-5-((1-(2-methyl-furan-3-yl)-methanethioyl)-amino)-benzoic acid, 1-isopropyl-2-methyl-propyl ester|2,4-dimethylpentan-3-yl 2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]benzoate|2-Methyl-1-(1-methylethyl)propyl 2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)benzoate|(1-isopropyl-2-methyl-propyl) 2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]benzoate|2-Chloro-5-{[1-(2-methyl-furan-3-yl)-methanethioyl]-amino}-benzoic acid, 1-isopropyl-2-methyl-propyl ester|2-Methyl-1-(1-methylethyl)propyl 2-chloro-5-[[(2-methyl-3-furanyl)thioxomethyl]amino]benzoate|Benzoic acid, 2-chloro-5-[[(2-methyl-3-furanyl)thioxomethyl]amino]-, 2-methyl-1-(1-methylethyl)propyl ester

Molecular Formula	C20H24ClNO3S
Molecular Weight	393.11655 g/mol
LogP	5.86642
Topological Polar Surface Area	51.47 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	393.11655
Monoisotopic Mass	393.11655
Heavy Atoms	26
Complexity	790.104

Chemical Identifiers

CAS Number	172998-75-3
SMILES	CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC(C(C)C)C(C)C