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

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

Formula: C20H20ClN5O2S

SMILES: ClC1=CC(NC(=O)CSC2=NNC(=N2)C2=CC=CC=C2)=CC=C1N1CCOCC1

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

InChI: InChI=1S/C20H20ClN5O2S/c21-16-12-15(6-7-17(16)26-8-10-28-11-9-26)22-18(27)13-29-20-23-19(24-25-20)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,22,27)(H,23,24,25)

Composition: C (55.88%), H (4.69%), Cl (8.25%), N (16.29%), O (7.44%), S (7.46%)

Molar Mass: 429.92

Atom Count: 49

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	429.1026238
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	WOKWIWODKBUIHA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	129.54
Topological Polar Surface Area	83.14
Polarizability	44.43
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H20ClN5O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00