ethyl 9-oxo-17-thia-2,8-diazatetracyclo[8.7.0.0³,?.0¹¹,¹?]heptadeca-1(10),2,11(16)-triene-4-carboxylate

ethyl 9-oxo-17-thia-2,8-diazatetracyclo[8.7.0.0³,?.0¹¹,¹?]heptadeca-1(10),2,11(16)-triene-4-carboxylate

Formula: C17H20N2O3S

SMILES: CCOC(=O)C1CCCN2C(=O)C3=C(SC4=C3CCCC4)N=C12

IUPAC: ethyl 9-oxo-17-thia-2,8-diazatetracyclo[8.7.0.0³,?.0¹¹,¹?]heptadeca-1(10),2,11(16)-triene-4-carboxylate

InChI: InChI=1/C17H20N2O3S/c1-2-22-17(21)11-7-5-9-19-14(11)18-15-13(16(19)20)10-6-3-4-8-12(10)23-15/h11H,2-9H2,1H3

Composition: C (61.42%), H (6.06%), N (8.43%), O (14.44%), S (9.64%)

Molar Mass: 332.42

Atom Count: 43

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	332.119463686
Formal Charge	0
FSP3	0.59
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YPKAKLVINSHOEK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.28
Topological Polar Surface Area	58.97
Polarizability	33.13
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H20N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00