N-(2-hydroxy-5-methylphenyl)-2-{[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]sulfanyl}acetamide

N-(2-hydroxy-5-methylphenyl)-2-{[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]sulfanyl}acetamide

Formula: C22H24N6O3S

SMILES: CC1=CC=C(O)C(NC(=O)CSC2=NC(NC3=CC=CC=C3)=NC(=N2)N2CCOCC2)=C1

IUPAC: N-(2-hydroxy-5-methylphenyl)-2-{[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]sulfanyl}acetamide

InChI: InChI=1S/C22H24N6O3S/c1-15-7-8-18(29)17(13-15)24-19(30)14-32-22-26-20(23-16-5-3-2-4-6-16)25-21(27-22)28-9-11-31-12-10-28/h2-8,13,29H,9-12,14H2,1H3,(H,24,30)(H,23,25,26,27)

Composition: C (58.39%), H (5.35%), N (18.57%), O (10.61%), S (7.08%)

Molar Mass: 452.53

Atom Count: 56

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	452.163059831
Formal Charge	0
FSP3	0.27
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
InChIKey	WAEIISSDJKXNAU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	128.64
Topological Polar Surface Area	112.5
Polarizability	46.8
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H24N6O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00