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

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

Formula: C21H21N5OS

SMILES: CCC(SC1=NC2=C(N=N1)C1=C(N2)C=CC=C1)C(=O)NC(C)C1=CC=CC=C1

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

InChI: InChI=1/C21H21N5OS/c1-3-17(20(27)22-13(2)14-9-5-4-6-10-14)28-21-24-19-18(25-26-21)15-11-7-8-12-16(15)23-19/h4-13,17H,3H2,1-2H3,(H,22,27)(H,23,24,26)

Composition: C (64.43%), H (5.41%), N (17.89%), O (4.09%), S (8.19%)

Molar Mass: 391.49

Atom Count: 49

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	2
Exact Mass	391.14668149
Formal Charge	0
FSP3	0.24
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	BHDQMHLGBMKUSG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.29
Topological Polar Surface Area	83.56
Polarizability	44.67
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H21N5OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00