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

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

Formula: C21H20N2O4S

SMILES: COC(=O)CN1C(=S)N(C)C(=O)C1=CC1=CC=C(OCC2=CC=CC=C2)C=C1

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

InChI: InChI=1S/C21H20N2O4S/c1-22-20(25)18(23(21(22)28)13-19(24)26-2)12-15-8-10-17(11-9-15)27-14-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3/b18-12-

Composition: C (63.62%), H (5.08%), N (7.07%), O (16.14%), S (8.09%)

Molar Mass: 396.46

Atom Count: 48

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	396.114378306
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	UNXKASUVUZEEAQ-PDGQHHTCSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.44
Topological Polar Surface Area	59.08
Polarizability	42.74
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H20N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00