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

Formula:C25H18N3O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:low (2E)-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-(2-fluorophenyl)chromene-3-carboxamide is a drug-like molecule.

MolName	(2E)-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-(2-fluorophenyl)chromene-3-carboxamide
MolecularFormula	C25H18N3O2FS
Smiles	N#Cc1c(/N=C2/Oc(cccc3)c3C=C2C(Nc(cccc2)c2F)=O)sc2c1CCCC2
InChI	InChI=1S/C25H18FN3O2S/c26-19-9-3-4-10-20(19)28-23(30)17-13-15-7-1-5-11-21(15)31-24(17)29-25-18(14-27)16-8-2-6-12-22(16)32-25/h1,3-5,7,9-11,13H,2,6,8,12H2,(H,28,30)
InChIK	BRAMISPCCLCSJD-UHFFFAOYSA-N
TotalMolweight	443.501
Molweight	443.501
MonoisotopicMass	443.110375
CLogP	4.9136
CLogS	-7.025
H Acceptors	5
H Donors	1
TotalSurfaceArea	331.71
Relative PSA	0.24096
PolarSurfaceArea	102.72
Druglikeness	-6.3311
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.4375
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Amides	1
StereoCon

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

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