7-(4-cyanobenzamido)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

7-(4-cyanobenzamido)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Formula: C19H15N5O4S3

SMILES: CC1=NN=C(SCC2=C(N3C(SC2)C(NC(=O)C2=CC=C(C=C2)C#N)C3=O)C(O)=O)S1

IUPAC: 7-(4-cyanobenzamido)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

InChI: InChI=1/C19H15N5O4S3/c1-9-22-23-19(31-9)30-8-12-7-29-17-13(16(26)24(17)14(12)18(27)28)21-15(25)11-4-2-10(6-20)3-5-11/h2-5,13,17H,7-8H2,1H3,(H,21,25)(H,27,28)

Composition: C (48.19%), H (3.19%), N (14.79%), O (13.51%), S (20.31%)

Molar Mass: 473.54

Atom Count: 46

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	473.028617505
Formal Charge	0
FSP3	0.26
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	YEYBDZYMVCDODX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	119.27
Topological Polar Surface Area	136.28
Polarizability	44.35
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H15N5O4S3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00