4-(2-methoxy-4-{[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxymethyl)benzoic acid

4-(2-methoxy-4-{[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxymethyl)benzoic acid

Formula: C19H16N2O5S

SMILES: COC1=CC(C=C2NC(=S)NC2=O)=CC=C1OCC1=CC=C(C=C1)C(O)=O

IUPAC: 4-[(2-methoxy-4-{[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)methyl]benzoic acid

InChI: InChI=1S/C19H16N2O5S/c1-25-16-9-12(8-14-17(22)21-19(27)20-14)4-7-15(16)26-10-11-2-5-13(6-3-11)18(23)24/h2-9H,10H2,1H3,(H,23,24)(H2,20,21,22,27)/b14-8+

Composition: C (59.37%), H (4.20%), N (7.29%), O (20.81%), S (8.34%)

Molar Mass: 384.41

Atom Count: 43

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	384.077992797
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	ORABJUNQEVDLLS-RIYZIHGNSA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.51
Topological Polar Surface Area	96.89
Polarizability	39.47
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H16N2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00