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

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

Formula: C20H19Cl2N5O2S

SMILES: ClC1=CC=C(C2=NC(SCC(=O)NC3=CC=C(C=C3)N3CCOCC3)=NN2)C(Cl)=C1

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

InChI: InChI=1S/C20H19Cl2N5O2S/c21-13-1-6-16(17(22)11-13)19-24-20(26-25-19)30-12-18(28)23-14-2-4-15(5-3-14)27-7-9-29-10-8-27/h1-6,11H,7-10,12H2,(H,23,28)(H,24,25,26)

Composition: C (51.73%), H (4.12%), Cl (15.27%), N (15.08%), O (6.89%), S (6.90%)

Molar Mass: 464.37

Atom Count: 49

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	463.0636514
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	DIEYJJGDJLZXAW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	134.35
Topological Polar Surface Area	83.14
Polarizability	46.35
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H19Cl2N5O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00