N-[(Z)-1-(2-chlorophenyl)-3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]prop-1-en-2-yl]benzamide

Formula:C25H19N4O4ClS2 Mutagenic:none Tumorigenic:high Reproductive Effective:low N-[(Z)-1-(2-chlorophenyl)-3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]prop-1-en-2-yl]benzamide is not a drug-like molecule.

MolNameN-[(Z)-1-(2-chlorophenyl)-3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]prop-1-en-2-yl]benzamide
MolecularFormulaC25H19N4O4ClS2
SmilesO=C(/C(/NC(c1ccccc1)=O)=C/c(cccc1)c1Cl)Nc(cc1)ccc1S(Nc1nccs1)(=O)=O
InChIInChI=1S/C25H19ClN4O4S2/c26-21-9-5-4-8-18(21)16-22(29-23(31)17-6-2-1-3-7-17)24(32)28-19-10-12-20(13-11-19)36(33,34)30-25-27-14-15-35-25/h1-16H,(H,27,30)(H,28,32)(H,29,31)
InChIKHKRNFCAGBKRKKF-UHFFFAOYSA-N
TotalMolweight539.035
Molweight539.035
MonoisotopicMass538.053623
CLogP4.9542
CLogS-6.675
H Acceptors8
H Donors3
TotalSurfaceArea385.83
Relative PSA0.31198
PolarSurfaceArea153.88
Druglikeness7.8541
Mutagenicnone
Tumorigenichigh
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms36
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms1
Symmetricatoms5
Amides3
Aromatic Nitrogens1
StereoCon

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