N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide

Formula:C20H15N6OFS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is a drug-like molecule.

MolName	N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
MolecularFormula	C20H15N6OFS2
Smiles	N#Cc1c(NC(CSc2nnc(c(cc(cc3)F)c3[nH]3)c3n2)=O)sc2c1CCCC2
InChI	InChI=1S/C20H15FN6OS2/c21-10-5-6-14-12(7-10)17-18(23-14)25-20(27-26-17)29-9-16(28)24-19-13(8-22)11-3-1-2-4-15(11)30-19/h5-7H,1-4,9H2,(H,24,28)(H,23,25,27)
InChIK	QZYYZGOTLPBGKG-UHFFFAOYSA-N
TotalMolweight	438.51
Molweight	438.51
MonoisotopicMass	438.073277
CLogP	3.781
CLogS	-7.089
H Acceptors	7
H Donors	2
TotalSurfaceArea	314.07
Relative PSA	0.39103
PolarSurfaceArea	160.89
Druglikeness	-7.5614
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	18
Sp3Atoms	6
Amides	1
Aromatic Nitrogens	4
StereoCon

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1 - N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide | 2 - N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide

Request More Details | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide

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