AC1MFLZF

4-[[5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid

Also Known As: ChemDiv1_002332|HMS593J22|SR-01000424025-1|4-[(3-allyl-5-{4-[(difluoromethyl)thio]benzyl}-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid|4-{[(2E)-5-{4-[(difluoromethyl)sulfanyl]benzyl}-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]amino}benzoic acid|4-[[5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid|4-[(5-{[4-(difluoromethylthio)phenyl]methyl}-4-oxo-3-prop-2-enyl-1,3-thiazolid in-2-ylidene)azamethyl]benzoic acid|4-{(Z)-[5-({4-[(Difluoromethyl)sulfanyl]phenyl}methyl)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]amino}benzoic acid|4-{[(2E)-5-({4-[(DIFLUOROMETHYL)SULFANYL]PHENYL}METHYL)-4-OXO-3-(PROP-2-EN-1-YL)-1,3-THIAZOLIDIN-2-YLIDENE]AMINO}BENZOIC ACID

Molecular Formula	C21H18F2N2O3S2
Molecular Weight	448.0727 g/mol
LogP	5.0597
Topological Polar Surface Area	69.97 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	448.0727
Monoisotopic Mass	448.0727
Heavy Atoms	30
Complexity	963.2217

Chemical Identifiers

CAS Number	5865-80-5
SMILES	C=CCN1C(=O)C(SC1=NC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)SC(F)F