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

2-(3,4-dimethylphenyl)-2-oxoethyl 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)OCC(=O)C1=CC=C(C)C(C)=C1

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

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

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	7
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	PUENTIOGXWXVIK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	127.25
Topological Polar Surface Area	80.75
Polarizability	49.03
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