(2R)-2-({[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}amino)-N-(2,4-difluorophenyl)-2-phenylacetamide

(2R)-2-({[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}amino)-N-(2,4-difluorophenyl)-2-phenylacetamide

CAS: 2101517-69-3

Formula: C23H15F8N3OS

SMILES: FC1=CC=C(NC(=O)[C@H](NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C2=CC=CC=C2)C(F)=C1

IUPAC: (2R)-2-({[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}amino)-N-(2,4-difluorophenyl)-2-phenylacetamide

InChI: InChI=1S/C23H15F8N3OS/c24-15-6-7-18(17(25)11-15)33-20(35)19(12-4-2-1-3-5-12)34-21(36)32-16-9-13(22(26,27)28)8-14(10-16)23(29,30)31/h1-11,19H,(H,33,35)(H2,32,34,36)/t19-/m1/s1

Composition: C (51.79%), H (2.83%), F (28.49%), N (7.88%), O (3.00%), S (6.01%)

Molar Mass: 533.44

Atom Count: 51

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	533.080808593
Formal Charge	0
FSP3	0.13
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	3
InChIKey	BDBWQANRZRCMMD-LJQANCHMSA-N
Lipinski's Rule of Five
Molar Refractivity	123.59
Topological Polar Surface Area	53.16
Polarizability	43.73
Ring Count	3
Rotatable Bond Count	7

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	2101517-69-3		$98.61-$746.05$98.61$148.29$269.83$433.41$746.05