2-[(4-chlorophenyl)methoxy]-N-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]benzamide

Formula:C23H18N2O4ClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(4-chlorophenyl)methoxy]-N-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]benzamide is a drug-like molecule.

MolName2-[(4-chlorophenyl)methoxy]-N-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]benzamide
MolecularFormulaC23H18N2O4ClFS
SmilesO=C(c(cccc1)c1OCc(cc1)ccc1Cl)N/N=C(/CC1)\c(cc(cc2)F)c2S1(=O)=O
InChIInChI=1S/C23H18ClFN2O4S/c24-16-7-5-15(6-8-16)14-31-21-4-2-1-3-18(21)23(28)27-26-20-11-12-32(29,30)22-10-9-17(25)13-19(20)22/h1-10,13H,11-12,14H2,(H,27,28)
InChIKBPTYTDOEGNYBOQ-UHFFFAOYSA-N
TotalMolweight472.923
Molweight472.923
MonoisotopicMass472.065983
CLogP4.1281
CLogS-6.937
H Acceptors6
H Donors1
TotalSurfaceArea333.09
Relative PSA0.22393
PolarSurfaceArea93.21
Druglikeness0.7213
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.53125
Fragments1
Non HAtoms32
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms5
Symmetricatoms3
StereoCon

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