2-oxo-2-(thiophen-2-yl)ethyl 2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}-4-(methylsulfanyl)butanoate

2-oxo-2-(thiophen-2-yl)ethyl 2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}-4-(methylsulfanyl)butanoate

Formula: C22H23NO5S2

SMILES: CSCCC(N1C(=O)C2C(C3C=CC2C2CC32)C1=O)C(=O)OCC(=O)C1=CC=CS1

IUPAC: 2-oxo-2-(thiophen-2-yl)ethyl 2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}-4-(methylsulfanyl)butanoate

InChI: InChI=1/C22H23NO5S2/c1-29-8-6-15(22(27)28-10-16(24)17-3-2-7-30-17)23-20(25)18-11-4-5-12(14-9-13(11)14)19(18)21(23)26/h2-5,7,11-15,18-19H,6,8-10H2,1H3

Composition: C (59.31%), H (5.20%), N (3.14%), O (17.95%), S (14.39%)

Molar Mass: 445.55

Atom Count: 53

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	7
Exact Mass	445.101765193
Formal Charge	0
FSP3	0.55
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	FDELBLHJGMYLED-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.06
Topological Polar Surface Area	80.75
Polarizability	44.24
Ring Count	5
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H23NO5S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00