ethyl 4-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioylamino}benzoate

ethyl 4-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioylamino}benzoate

Formula: C22H23F3N2O3S

SMILES: CCOC(=O)C1=CC=C(NC(=S)N2CCC(O)(CC2)C2=CC=CC(=C2)C(F)(F)F)C=C1

IUPAC: ethyl 4-({4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioyl}amino)benzoate

InChI: InChI=1S/C22H23F3N2O3S/c1-2-30-19(28)15-6-8-18(9-7-15)26-20(31)27-12-10-21(29,11-13-27)16-4-3-5-17(14-16)22(23,24)25/h3-9,14,29H,2,10-13H2,1H3,(H,26,31)

Composition: C (58.40%), H (5.12%), F (12.60%), N (6.19%), O (10.61%), S (7.09%)

Molar Mass: 452.49

Atom Count: 54

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	452.138148272
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	WNPQQVDAYFPMLV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.36
Topological Polar Surface Area	61.8
Polarizability	43.83
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H23F3N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00