2-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenoxy]-N-phenylacetamide

Formula:C24H17N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenoxy]-N-phenylacetamide is a drug-like molecule.

MolName	2-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenoxy]-N-phenylacetamide
MolecularFormula	C24H17N3O2S
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\c(cc1)ccc1OCC(Nc1ccccc1)=O
InChI	InChI=1S/C24H17N3O2S/c25-15-18(24-27-21-8-4-5-9-22(21)30-24)14-17-10-12-20(13-11-17)29-16-23(28)26-19-6-2-1-3-7-19/h1-14H,16H2,(H,26,28)
InChIK	VVSWLFZCEFJDCQ-UHFFFAOYSA-N
TotalMolweight	411.484
Molweight	411.484
MonoisotopicMass	411.104147
CLogP	4.0622
CLogS	-5.185
H Acceptors	5
H Donors	1
TotalSurfaceArea	321.47
Relative PSA	0.24696
PolarSurfaceArea	103.25
Druglikeness	-1.6758
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon

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