N-[3-(4-chlorophenyl)-5-[(ethylcarbamoyl)methyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3-fluorobenzamide

N-[3-(4-chlorophenyl)-5-[(ethylcarbamoyl)methyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3-fluorobenzamide

Formula: C20H18ClFN4O3S

SMILES: CCNC(=O)CC1N(NC(=O)C2=CC=CC(F)=C2)C(=S)N(C1=O)C1=CC=C(Cl)C=C1

IUPAC: N-[3-(4-chlorophenyl)-5-[(ethylcarbamoyl)methyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3-fluorobenzamide

InChI: InChI=1/C20H18ClFN4O3S/c1-2-23-17(27)11-16-19(29)25(15-8-6-13(21)7-9-15)20(30)26(16)24-18(28)12-4-3-5-14(22)10-12/h3-10,16H,2,11H2,1H3,(H,23,27)(H,24,28)

Composition: C (53.51%), H (4.04%), Cl (7.90%), F (4.23%), N (12.48%), O (10.69%), S (7.14%)

Molar Mass: 448.9

Atom Count: 48

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	448.0772175
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	OBIJLIMGUIGSCP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.27
Topological Polar Surface Area	81.75
Polarizability	43.52
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H18ClFN4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00