N-cyclohexyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-cyclohexyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

Formula: C16H20N4OS

SMILES: O=C(CSC1=NNC(=N1)C1=CC=CC=C1)NC1CCCCC1

IUPAC: N-cyclohexyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

InChI: InChI=1S/C16H20N4OS/c21-14(17-13-9-5-2-6-10-13)11-22-16-18-15(19-20-16)12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,17,21)(H,18,19,20)

Composition: C (60.73%), H (6.37%), N (17.71%), O (5.06%), S (10.13%)

Molar Mass: 316.42

Atom Count: 42

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	316.135782454
Formal Charge	0
FSP3	0.44
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	SMHQSWCAIBVVPQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.69
Topological Polar Surface Area	70.67
Polarizability	34.81
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H20N4OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00