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

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

Formula: C18H16Cl2N4OS

SMILES: CC(NC(=O)CSC1=NNC(=N1)C1=CC=C(Cl)C=C1Cl)C1=CC=CC=C1

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

InChI: InChI=1/C18H16Cl2N4OS/c1-11(12-5-3-2-4-6-12)21-16(25)10-26-18-22-17(23-24-18)14-8-7-13(19)9-15(14)20/h2-9,11H,10H2,1H3,(H,21,25)(H,22,23,24)

Composition: C (53.08%), H (3.96%), Cl (17.41%), N (13.76%), O (3.93%), S (7.87%)

Molar Mass: 407.31

Atom Count: 42

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	406.0421877
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WHYWAMGJEUHDTL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.32
Topological Polar Surface Area	70.67
Polarizability	41.54
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H16Cl2N4OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00