2-methoxy-4-{[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenyl adamantane-1-carboxylate

2-methoxy-4-{[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenyl adamantane-1-carboxylate

Formula: C22H24N2O4S

SMILES: COC1=CC(C=C2NC(=S)NC2=O)=CC=C1OC(=O)C12CC3CC(CC(C3)C1)C2

IUPAC: 2-methoxy-4-{[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenyl adamantane-1-carboxylate

InChI: InChI=1S/C22H24N2O4S/c1-27-18-8-12(7-16-19(25)24-21(29)23-16)2-3-17(18)28-20(26)22-9-13-4-14(10-22)6-15(5-13)11-22/h2-3,7-8,13-15H,4-6,9-11H2,1H3,(H2,23,24,25,29)/b16-7+

Composition: C (64.06%), H (5.86%), N (6.79%), O (15.51%), S (7.77%)

Molar Mass: 412.5

Atom Count: 53

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	412.145678435
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	KNVDZKUARCPDPN-FRKPEAEDSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.06
Topological Polar Surface Area	76.66
Polarizability	43.84
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H24N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00