2-{[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-phenylethyl)acetamide

2-{[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-phenylethyl)acetamide

Formula: C18H17ClN4OS

SMILES: ClC1=CC=C(C=C1)C1=NC(SCC(=O)NCCC2=CC=CC=C2)=NN1

IUPAC: 2-{[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-phenylethyl)acetamide

InChI: InChI=1S/C18H17ClN4OS/c19-15-8-6-14(7-9-15)17-21-18(23-22-17)25-12-16(24)20-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,24)(H,21,22,23)

Composition: C (57.98%), H (4.60%), Cl (9.51%), N (15.03%), O (4.29%), S (8.60%)

Molar Mass: 372.87

Atom Count: 42

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	372.0811601
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	BRKLBNNOGWMUTM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.85
Topological Polar Surface Area	70.67
Polarizability	39.64
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H17ClN4OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00