4-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),4-trien-5-yl}phenyl benzenesulfonate

4-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),4-trien-5-yl}phenyl benzenesulfonate

Formula: C22H18N2O4S2

SMILES: O=C1N=C(NC2=C1C1=C(CCCC1)S2)C1=CC=C(OS(=O)(=O)C2=CC=CC=C2)C=C1

IUPAC: 4-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),4-trien-5-yl}phenyl benzenesulfonate

InChI: InChI=1S/C22H18N2O4S2/c25-21-19-17-8-4-5-9-18(17)29-22(19)24-20(23-21)14-10-12-15(13-11-14)28-30(26,27)16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9H2,(H,23,24,25)

Composition: C (60.26%), H (4.14%), N (6.39%), O (14.59%), S (14.62%)

Molar Mass: 438.52

Atom Count: 48

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	438.070799416
Formal Charge	0
FSP3	0.18
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	IJDIKNMIVOBOMY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	116.2
Topological Polar Surface Area	84.83
Polarizability	44.34
Ring Count	5
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H18N2O4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00