(2E)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide

Formula:C26H20N3O3F3S Mutagenic:none Tumorigenic:none Reproductive Effective:low (2E)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide is not a drug-like molecule.

MolName	(2E)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide
MolecularFormula	C26H20N3O3F3S
Smiles	NC(c1c(/N=C2/Oc(cccc3)c3C=C2C(Nc2cc(C(F)(F)F)ccc2)=O)sc2c1CCCC2)=O
InChI	InChI=1S/C26H20F3N3O3S/c27-26(28,29)15-7-5-8-16(13-15)31-23(34)18-12-14-6-1-3-10-19(14)35-24(18)32-25-21(22(30)33)17-9-2-4-11-20(17)36-25/h1,3,5-8,10,12-13H,2,4,9,11H2,(H2,30,33)(H,31,34)
InChIK	JUWGCXYKHHNBDB-UHFFFAOYSA-N
TotalMolweight	511.523
Molweight	511.523
MonoisotopicMass	511.117746
CLogP	4.9128
CLogS	-6.805
H Acceptors	6
H Donors	2
TotalSurfaceArea	359.38
Relative PSA	0.26345
PolarSurfaceArea	122.02
Druglikeness	-7.0165
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.41667
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	2
Amides	2
StereoCon

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1 - (2E)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide | 2 - (2E)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide

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