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

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

Formula: C17H12Cl2N4O3S

SMILES: ClC1=CC=C(C2=NC(SCC(=O)NC3=CC=C4OCOC4=C3)=NN2)C(Cl)=C1

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

InChI: InChI=1S/C17H12Cl2N4O3S/c18-9-1-3-11(12(19)5-9)16-21-17(23-22-16)27-7-15(24)20-10-2-4-13-14(6-10)26-8-25-13/h1-6H,7-8H2,(H,20,24)(H,21,22,23)

Composition: C (48.24%), H (2.86%), Cl (16.75%), N (13.24%), O (11.34%), S (7.57%)

Molar Mass: 423.27

Atom Count: 39

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	422.0007168
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	ZKJMRVNPJTYCSA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.61
Topological Polar Surface Area	89.13
Polarizability	40.39
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H12Cl2N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00