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

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

Formula: C16H10Cl2F2N4OS

SMILES: FC1=CC=C(NC(=O)CSC2=NNC(=N2)C2=CC=C(Cl)C=C2Cl)C(F)=C1

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

InChI: InChI=1S/C16H10Cl2F2N4OS/c17-8-1-3-10(11(18)5-8)15-22-16(24-23-15)26-7-14(25)21-13-4-2-9(19)6-12(13)20/h1-6H,7H2,(H,21,25)(H,22,23,24)

Composition: C (46.28%), H (2.43%), Cl (17.07%), F (9.15%), N (13.49%), O (3.85%), S (7.72%)

Molar Mass: 415.24

Atom Count: 36

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	413.9920439
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	YGBXHLHGXFHHSW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	111.28
Topological Polar Surface Area	70.67
Polarizability	37.35
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H10Cl2F2N4OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00