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

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

Formula: C25H24N6O3S

SMILES: COC1=CC=C(OC)C(NC(=O)CSC2=NC(NC3=CC=CC=C3)=NC(NC3=CC=CC=C3)=N2)=C1

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

InChI: InChI=1S/C25H24N6O3S/c1-33-19-13-14-21(34-2)20(15-19)28-22(32)16-35-25-30-23(26-17-9-5-3-6-10-17)29-24(31-25)27-18-11-7-4-8-12-18/h3-15H,16H2,1-2H3,(H,28,32)(H2,26,27,29,30,31)

Composition: C (61.46%), H (4.95%), N (17.20%), O (9.82%), S (6.56%)

Molar Mass: 488.57

Atom Count: 59

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	488.163059831
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
InChIKey	XVFUNGMLWCMGQV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	139.53
Topological Polar Surface Area	110.29
Polarizability	51.71
Ring Count	4
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H24N6O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00