methyl 4-[3-methoxy-4-({N'-[(E)-thiophen-2-ylmethylidene]hydrazinecarbonyl}methoxy)phenyl]-6-methyl-2-oxo-4,5-dihydro-3H-pyrimidine-5-carboxylate

methyl 4-[3-methoxy-4-({N'-[(E)-thiophen-2-ylmethylidene]hydrazinecarbonyl}methoxy)phenyl]-6-methyl-2-oxo-4,5-dihydro-3H-pyrimidine-5-carboxylate

Formula: C21H22N4O6S

SMILES: COC(=O)C1C(NC(=O)N=C1C)C1=CC=C(OCC(=O)NN=CC2=CC=CS2)C(OC)=C1

IUPAC: methyl 6-[3-methoxy-4-({N'-[(E)-(thiophen-2-yl)methylidene]hydrazinecarbonyl}methoxy)phenyl]-4-methyl-2-oxo-1,2,5,6-tetrahydropyrimidine-5-carboxylate

InChI: InChI=1/C21H22N4O6S/c1-12-18(20(27)30-3)19(24-21(28)23-12)13-6-7-15(16(9-13)29-2)31-11-17(26)25-22-10-14-5-4-8-32-14/h4-10,18-19H,11H2,1-3H3,(H,24,28)(H,25,26)/b22-10+

Composition: C (55.01%), H (4.84%), N (12.22%), O (20.94%), S (6.99%)

Molar Mass: 458.49

Atom Count: 54

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	458.126005618
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	ILFYHVVSHSBZMO-LSHDLFTRNA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.5
Topological Polar Surface Area	127.68
Polarizability	44.24
Ring Count	3
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H22N4O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00