4-({[2,2,2-trichloro-1-(2-phenylacetamido)ethyl]carbamothioyl}amino)benzoic acid

4-({[2,2,2-trichloro-1-(2-phenylacetamido)ethyl]carbamothioyl}amino)benzoic acid

Formula: C18H16Cl3N3O3S

SMILES: OC(=O)C1=CC=C(NC(=S)NC(NC(=O)CC2=CC=CC=C2)C(Cl)(Cl)Cl)C=C1

IUPAC: 4-({[2,2,2-trichloro-1-(2-phenylacetamido)ethyl]carbamothioyl}amino)benzoic acid

InChI: InChI=1/C18H16Cl3N3O3S/c19-18(20,21)16(23-14(25)10-11-4-2-1-3-5-11)24-17(28)22-13-8-6-12(7-9-13)15(26)27/h1-9,16H,10H2,(H,23,25)(H,26,27)(H2,22,24,28)

Composition: C (46.92%), H (3.50%), Cl (23.08%), N (9.12%), O (10.42%), S (6.96%)

Molar Mass: 460.75

Atom Count: 44

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	458.9977957
Formal Charge	0
FSP3	0.17
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	4
InChIKey	FSJAMTZSOTVYMB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.55
Topological Polar Surface Area	90.46
Polarizability	43.97
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H16Cl3N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00