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

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

Formula: C21H23N5O2S

SMILES: CC1=CC=CC=C1C1=NC(SCC(=O)NC2=CC=C(C=C2)N2CCOCC2)=NN1

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

InChI: InChI=1S/C21H23N5O2S/c1-15-4-2-3-5-18(15)20-23-21(25-24-20)29-14-19(27)22-16-6-8-17(9-7-16)26-10-12-28-13-11-26/h2-9H,10-14H2,1H3,(H,22,27)(H,23,24,25)

Composition: C (61.59%), H (5.66%), N (17.10%), O (7.81%), S (7.83%)

Molar Mass: 409.51

Atom Count: 52

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	409.157246175
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	OJMKBNDFRQVWAC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	129.78
Topological Polar Surface Area	83.14
Polarizability	44.31
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H23N5O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00