3-[3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propyl]-1H-benzimidazol-2-one

Formula:C19H16N6OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propyl]-1H-benzimidazol-2-one is a drug-like molecule.

MolName	3-[3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propyl]-1H-benzimidazol-2-one
MolecularFormula	C19H16N6OS
Smiles	O=C1N(CCCSc2nnc(c(cccc3)c3[nH]3)c3n2)c(cccc2)c2N1
InChI	InChI=1S/C19H16N6OS/c26-19-21-14-8-3-4-9-15(14)25(19)10-5-11-27-18-22-17-16(23-24-18)12-6-1-2-7-13(12)20-17/h1-4,6-9H,5,10-11H2,(H,21,26)(H,20,22,24)
InChIK	ALIWTWNHIMOXAD-UHFFFAOYSA-N
TotalMolweight	376.443
Molweight	376.443
MonoisotopicMass	376.110629
CLogP	3.0386
CLogS	-5.896
H Acceptors	7
H Donors	2
TotalSurfaceArea	272.85
Relative PSA	0.33879
PolarSurfaceArea	112.1
Druglikeness	3.2622
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	4
Amides	2
Aromatic Nitrogens	4
StereoCon

Click to Load Molecule:

1 - 3-[3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propyl]-1H-benzimidazol-2-one | 2 - 3-[3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propyl]-1H-benzimidazol-2-one

Request More Details | 3-[3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propyl]-1H-benzimidazol-2-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments