7-[5-(2-bromophenoxymethyl)furan-2-amido]-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-[5-(2-bromophenoxymethyl)furan-2-amido]-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: C23H19BrN4O6S3

SMILES: CC1=NN=C(SCC2=C(N3C(SC2)C(NC(=O)C2=CC=C(COC4=CC=CC=C4Br)O2)C3=O)C(O)=O)S1

IUPAC: 7-{5-[(2-bromophenoxy)methyl]furan-2-amido}-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/C23H19BrN4O6S3/c1-11-26-27-23(37-11)36-10-12-9-35-21-17(20(30)28(21)18(12)22(31)32)25-19(29)16-7-6-13(34-16)8-33-15-5-3-2-4-14(15)24/h2-7,17,21H,8-10H2,1H3,(H,25,29)(H,31,32)

Composition: C (44.31%), H (3.07%), Br (12.82%), N (8.99%), O (15.40%), S (15.43%)

Molar Mass: 623.51

Atom Count: 56

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	621.965011
Formal Charge	0
FSP3	0.26
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	WXVSYCYRIXCOJE-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	144.52
Topological Polar Surface Area	134.86
Polarizability	54.46
Ring Count	5
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H19BrN4O6S3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00