4-oxo-3-[(thiophen-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylic acid

4-oxo-3-[(thiophen-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylic acid

Formula: C14H13NO4S

SMILES: OC(=O)C1C2OC3(CN(CC4=CC=CS4)C(=O)C13)C=C2

IUPAC: 4-oxo-3-[(thiophen-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylic acid

InChI: InChI=1/C14H13NO4S/c16-12-11-10(13(17)18)9-3-4-14(11,19-9)7-15(12)6-8-2-1-5-20-8/h1-5,9-11H,6-7H2,(H,17,18)

Composition: C (57.72%), H (4.50%), N (4.81%), O (21.97%), S (11.01%)

Molar Mass: 291.32

Atom Count: 33

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	4
Exact Mass	291.056529077
Formal Charge	0
FSP3	0.43
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	UDUGSHGYQZDWDK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.45
Topological Polar Surface Area	66.84
Polarizability	27.5
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H13NO4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00