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

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

Formula: C26H29NO5S

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

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

InChI: InChI=1/C26H29NO5S/c1-13-4-6-15(7-5-13)23(28)14(2)32-26(31)20(10-11-33-3)27-24(29)21-16-8-9-17(19-12-18(16)19)22(21)25(27)30/h4-9,14,16-22H,10-12H2,1-3H3

Composition: C (66.79%), H (6.25%), N (3.00%), O (17.11%), S (6.86%)

Molar Mass: 467.58

Atom Count: 62

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	8
Exact Mass	467.176644212
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	HZTXLTZBHYMZJJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	126.71
Topological Polar Surface Area	80.75
Polarizability	49.11
Ring Count	5
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H29NO5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00