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

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

Formula: C20H19NO5S

SMILES: O=C(CCN1C(=O)C2C(C3C=CC2C2CC32)C1=O)OCC(=O)C1=CC=CS1

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

InChI: InChI=1/C20H19NO5S/c22-14(15-2-1-7-27-15)9-26-16(23)5-6-21-19(24)17-10-3-4-11(13-8-12(10)13)18(17)20(21)25/h1-4,7,10-13,17-18H,5-6,8-9H2

Composition: C (62.32%), H (4.97%), N (3.63%), O (20.75%), S (8.32%)

Molar Mass: 385.43

Atom Count: 46

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	6
Exact Mass	385.09839389
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	PFDVRSTVNZKSGL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.18
Topological Polar Surface Area	80.75
Polarizability	37.51
Ring Count	5
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H19NO5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00