6-(1H-1,3-benzodiazol-2-ylsulfanyl)-N2,N4-bis(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine

6-(1H-1,3-benzodiazol-2-ylsulfanyl)-N2,N4-bis(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine

Formula: C26H25N7O2S

SMILES: CCOC1=CC=C(NC2=NC(SC3=NC4=CC=CC=C4N3)=NC(NC3=CC=C(OCC)C=C3)=N2)C=C1

IUPAC: 6-(1H-1,3-benzodiazol-2-ylsulfanyl)-N2,N4-bis(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine

InChI: InChI=1S/C26H25N7O2S/c1-3-34-19-13-9-17(10-14-19)27-23-31-24(28-18-11-15-20(16-12-18)35-4-2)33-26(32-23)36-25-29-21-7-5-6-8-22(21)30-25/h5-16H,3-4H2,1-2H3,(H,29,30)(H2,27,28,31,32,33)

Composition: C (62.51%), H (5.04%), N (19.63%), O (6.40%), S (6.42%)

Molar Mass: 499.59

Atom Count: 61

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	499.179044247
Formal Charge	0
FSP3	0.15
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
InChIKey	XZBTYTXWKRVZPJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	142.82
Topological Polar Surface Area	109.87
Polarizability	54.82
Ring Count	5
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H25N7O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00