2-fluoro-N-[2-(4-methyl-5-{[2-(1-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide

2-fluoro-N-[2-(4-methyl-5-{[2-(1-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide

Formula: C23H22FN5O2S

SMILES: CN1C=C(C(=O)CSC2=NN=C(CCNC(=O)C3=CC=CC=C3F)N2C)C2=CC=CC=C12

IUPAC: 2-fluoro-N-[2-(4-methyl-5-{[2-(1-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide

InChI: InChI=1S/C23H22FN5O2S/c1-28-13-17(15-7-4-6-10-19(15)28)20(30)14-32-23-27-26-21(29(23)2)11-12-25-22(31)16-8-3-5-9-18(16)24/h3-10,13H,11-12,14H2,1-2H3,(H,25,31)

Composition: C (61.18%), H (4.91%), F (4.21%), N (15.51%), O (7.09%), S (7.10%)

Molar Mass: 451.52

Atom Count: 54

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	451.147824305
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CHFDMMHQSWDQFS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	125.22
Topological Polar Surface Area	81.81
Polarizability	47.16
Ring Count	4
Rotatable Bond Count	8

Suppliers

Vitas M Chemical Limited

Supplier Profile

Purity	LeadTime	RefID	PacketSize	UnitPrice
90%	<16 Days	STK278832		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00