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

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

Formula: C15H11N7OS

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

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

InChI: InChI=1S/C15H11N7OS/c23-11(19-14-16-6-3-7-17-14)8-24-15-20-13-12(21-22-15)9-4-1-2-5-10(9)18-13/h1-7H,8H2,(H,18,20,22)(H,16,17,19,23)

Composition: C (53.40%), H (3.29%), N (29.06%), O (4.74%), S (9.50%)

Molar Mass: 337.36

Atom Count: 35

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	337.074579176
Formal Charge	0
FSP3	0.07
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	BUOHAAPTIWTPKF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	93.41
Topological Polar Surface Area	109.34
Polarizability	35.49
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H11N7OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00