methyl 2-{4-oxo-3-phenyl-5-[(phenylcarbamoyl)methyl]-2-sulfanylideneimidazolidin-1-yl}acetate

methyl 2-{4-oxo-3-phenyl-5-[(phenylcarbamoyl)methyl]-2-sulfanylideneimidazolidin-1-yl}acetate

Formula: C20H19N3O4S

SMILES: COC(=O)CN1C(CC(=O)NC2=CC=CC=C2)C(=O)N(C1=S)C1=CC=CC=C1

IUPAC: methyl 2-{4-oxo-3-phenyl-5-[(phenylcarbamoyl)methyl]-2-sulfanylideneimidazolidin-1-yl}acetate

InChI: InChI=1/C20H19N3O4S/c1-27-18(25)13-22-16(12-17(24)21-14-8-4-2-5-9-14)19(26)23(20(22)28)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H,21,24)

Composition: C (60.44%), H (4.82%), N (10.57%), O (16.10%), S (8.07%)

Molar Mass: 397.45

Atom Count: 47

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	397.109627278
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UAZIGYYHFGVCTA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.27
Topological Polar Surface Area	78.95
Polarizability	41.67
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H19N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00