ethyl 6-ethyl-2-(2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 6-ethyl-2-(2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C21H24F3N3O3S2

SMILES: CCOC(=O)C1=C(NC(=O)CSC2=NC(C)=CC(=N2)C(F)(F)F)SC2=C1CCC(CC)C2

IUPAC: ethyl 6-ethyl-2-(2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1/C21H24F3N3O3S2/c1-4-12-6-7-13-14(9-12)32-18(17(13)19(29)30-5-2)27-16(28)10-31-20-25-11(3)8-15(26-20)21(22,23)24/h8,12H,4-7,9-10H2,1-3H3,(H,27,28)

Composition: C (51.73%), H (4.96%), F (11.69%), N (8.62%), O (9.84%), S (13.15%)

Molar Mass: 487.56

Atom Count: 56

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	487.121118482
Formal Charge	0
FSP3	0.52
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XWMNXAXOBRWAMM-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	119.74
Topological Polar Surface Area	81.18
Polarizability	44.19
Ring Count	3
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H24F3N3O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00