ethyl 3,3,3-trifluoro-2-hydroxy-2-{4-[methyl(phenylcarbamothioyl)amino]phenyl}propanoate

ethyl 3,3,3-trifluoro-2-hydroxy-2-{4-[methyl(phenylcarbamothioyl)amino]phenyl}propanoate

Formula: C19H19F3N2O3S

SMILES: CCOC(=O)C(O)(C1=CC=C(C=C1)N(C)C(=S)NC1=CC=CC=C1)C(F)(F)F

IUPAC: ethyl 3,3,3-trifluoro-2-hydroxy-2-{4-[methyl(phenylcarbamothioyl)amino]phenyl}propanoate

InChI: InChI=1/C19H19F3N2O3S/c1-3-27-16(25)18(26,19(20,21)22)13-9-11-15(12-10-13)24(2)17(28)23-14-7-5-4-6-8-14/h4-12,26H,3H2,1-2H3,(H,23,28)

Composition: C (55.33%), H (4.64%), F (13.82%), N (6.79%), O (11.64%), S (7.77%)

Molar Mass: 412.43

Atom Count: 47

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	412.106848143
Formal Charge	0
FSP3	0.26
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	VVNHMLXIUMPBFT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.74
Topological Polar Surface Area	61.8
Polarizability	39.1
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H19F3N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00