2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide

Formula:C18H11N5OF4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide is a drug-like molecule.

MolName	2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
MolecularFormula	C18H11N5OF4S
Smiles	O=C(CSc1nnc(c(cc(cc2)F)c2[nH]2)c2n1)Nc1c(C(F)(F)F)cccc1
InChI	InChI=1S/C18H11F4N5OS/c19-9-5-6-12-10(7-9)15-16(24-12)25-17(27-26-15)29-8-14(28)23-13-4-2-1-3-11(13)18(20,21)22/h1-7H,8H2,(H,23,28)(H,24,25,27)
InChIK	KBCZXDJRTFCEKK-UHFFFAOYSA-N
TotalMolweight	421.377
Molweight	421.377
MonoisotopicMass	421.062042
CLogP	3.5807
CLogS	-5.842
H Acceptors	6
H Donors	2
TotalSurfaceArea	284.34
Relative PSA	0.31262
PolarSurfaceArea	108.86
Druglikeness	-5.7931
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	4
StereoCon

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1 - 2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide | 2 - 2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide

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