4-amino-N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)ethenyl]benzamide

Formula:C23H17N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-amino-N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)ethenyl]benzamide is a drug-like molecule.

MolName	4-amino-N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)ethenyl]benzamide
MolecularFormula	C23H17N3O3S
Smiles	Nc(cc1)ccc1C(N/C(/c1nc(cccc2)c2s1)=C/c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C23H17N3O3S/c24-16-8-6-15(7-9-16)22(27)25-18(23-26-17-3-1-2-4-21(17)30-23)11-14-5-10-19-20(12-14)29-13-28-19/h1-12H,13,24H2,(H,25,27)
InChIK	SKQMTVAPBZOAHA-UHFFFAOYSA-N
TotalMolweight	415.472
Molweight	415.472
MonoisotopicMass	415.099062
CLogP	4.057
CLogS	-5.78
H Acceptors	6
H Donors	2
TotalSurfaceArea	304.78
Relative PSA	0.2989
PolarSurfaceArea	114.71
Druglikeness	3.1571
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
StereoCon

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