2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-cyclopropylacetamide

Formula:C14H12N5OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-cyclopropylacetamide is a drug-like molecule.

MolName	2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-cyclopropylacetamide
MolecularFormula	C14H12N5OBrS
Smiles	O=C(CSc1nnc(c(cc(cc2)Br)c2[nH]2)c2n1)NC1CC1
InChI	InChI=1S/C14H12BrN5OS/c15-7-1-4-10-9(5-7)12-13(17-10)18-14(20-19-12)22-6-11(21)16-8-2-3-8/h1,4-5,8H,2-3,6H2,(H,16,21)(H,17,18,20)
InChIK	JQEDNKKUZHXQQD-UHFFFAOYSA-N
TotalMolweight	378.253
Molweight	378.253
MonoisotopicMass	376.994591
CLogP	2.1778
CLogS	-4.841
H Acceptors	6
H Donors	2
TotalSurfaceArea	233.92
Relative PSA	0.38
PolarSurfaceArea	108.86
Druglikeness	0.8945
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	13
Sp3Atoms	5
Symmetricatoms	1
Amides	1
Aromatic Nitrogens	4
StereoCon

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1 - 2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-cyclopropylacetamide | 2 - 2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-cyclopropylacetamide

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