N-(1,3-benzothiazol-2-yl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide

N-(1,3-benzothiazol-2-yl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide

Formula: C18H12N6OS2

SMILES: O=C(CSC1=NC2=C(N=N1)C1=C(N2)C=CC=C1)NC1=NC2=CC=CC=C2S1

IUPAC: N-(1,3-benzothiazol-2-yl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide

InChI: InChI=1S/C18H12N6OS2/c25-14(21-17-20-12-7-3-4-8-13(12)27-17)9-26-18-22-16-15(23-24-18)10-5-1-2-6-11(10)19-16/h1-8H,9H2,(H,19,22,24)(H,20,21,25)

Composition: C (55.09%), H (3.08%), N (21.41%), O (4.08%), S (16.34%)

Molar Mass: 392.46

Atom Count: 39

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	392.051401378
Formal Charge	0
FSP3	0.06
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	QMNJMOKJEFKSQL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	107.34
Topological Polar Surface Area	96.45
Polarizability	42.58
Ring Count	5
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H12N6OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00