1-{4-amino-6-[(5-chloro-2-methoxyphenyl)amino]-1,3,5-triazin-2-yl}-3-(1,3-benzothiazol-2-ylsulfanyl)propan-2-one

1-{4-amino-6-[(5-chloro-2-methoxyphenyl)amino]-1,3,5-triazin-2-yl}-3-(1,3-benzothiazol-2-ylsulfanyl)propan-2-one

Formula: C20H17ClN6O2S2

SMILES: COC1=CC=C(Cl)C=C1NC1=NC(CC(=O)CSC2=NC3=CC=CC=C3S2)=NC(N)=N1

IUPAC: 1-{4-amino-6-[(5-chloro-2-methoxyphenyl)amino]-1,3,5-triazin-2-yl}-3-(1,3-benzothiazol-2-ylsulfanyl)propan-2-one

InChI: InChI=1S/C20H17ClN6O2S2/c1-29-15-7-6-11(21)8-14(15)23-19-26-17(25-18(22)27-19)9-12(28)10-30-20-24-13-4-2-3-5-16(13)31-20/h2-8H,9-10H2,1H3,(H3,22,23,25,26,27)

Composition: C (50.79%), H (3.62%), Cl (7.50%), N (17.77%), O (6.77%), S (13.56%)

Molar Mass: 472.97

Atom Count: 48

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	472.0542939
Formal Charge	0
FSP3	0.15
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
InChIKey	XNBNFUBVGPWWHZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	124.34
Topological Polar Surface Area	115.91
Polarizability	47.5
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H17ClN6O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00