2-[6-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-3H-pyrimidin-1-yl]acetamide

2-[6-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-3H-pyrimidin-1-yl]acetamide

CAS: 1435467-38-1

Formula: C14H15N3O4S

SMILES: COC1=CC=C(OC)C(=C1)C1=CC(=O)NC(=S)N1CC(N)=O

IUPAC: 2-[6-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl]acetamide

InChI: InChI=1S/C14H15N3O4S/c1-20-8-3-4-11(21-2)9(5-8)10-6-13(19)16-14(22)17(10)7-12(15)18/h3-6H,7H2,1-2H3,(H2,15,18)(H,16,19,22)

Composition: C (52.33%), H (4.71%), N (13.08%), O (19.91%), S (9.98%)

Molar Mass: 321.35

Atom Count: 37

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	321.078327149
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	LJBUZOGABRDGBR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.37
Topological Polar Surface Area	93.89
Polarizability	32.48
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.86%	<7 Days	1435467-38-1		$84.15-$607.75$84.15$140.25$233.75$420.75$607.75