3-phenyl-N-{5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}propanamide

3-phenyl-N-{5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}propanamide

Formula: C20H17F3N4O2S2

SMILES: FC(F)(F)C1=CC=CC=C1NC(=O)CSC1=NN=C(NC(=O)CCC2=CC=CC=C2)S1

IUPAC: 3-phenyl-N-{5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}propanamide

InChI: InChI=1S/C20H17F3N4O2S2/c21-20(22,23)14-8-4-5-9-15(14)24-17(29)12-30-19-27-26-18(31-19)25-16(28)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,24,29)(H,25,26,28)

Composition: C (51.49%), H (3.67%), F (12.22%), N (12.01%), O (6.86%), S (13.74%)

Molar Mass: 466.5

Atom Count: 48

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	466.07450264
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	MGQHNVCOBDEABA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.76
Topological Polar Surface Area	83.98
Polarizability	42.3
Ring Count	3
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H17F3N4O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00