2-({7-methyl-8-oxo-16-thia-2,4,5,7-tetraazatetracyclo[7.7.0.0²,?.0¹?,¹?]hexadeca-1(9),3,5,10(15)-tetraen-3-yl}sulfanyl)acetamide

2-({7-methyl-8-oxo-16-thia-2,4,5,7-tetraazatetracyclo[7.7.0.0²,?.0¹?,¹?]hexadeca-1(9),3,5,10(15)-tetraen-3-yl}sulfanyl)acetamide

Formula: C14H15N5O2S2

SMILES: CN1C2=NN=C(SCC(N)=O)N2C2=C(C3=C(CCCC3)S2)C1=O

IUPAC: 2-({7-methyl-8-oxo-16-thia-2,4,5,7-tetraazatetracyclo[7.7.0.0²,?.0¹?,¹?]hexadeca-1(9),3,5,10(15)-tetraen-3-yl}sulfanyl)acetamide

InChI: InChI=1S/C14H15N5O2S2/c1-18-11(21)10-7-4-2-3-5-8(7)23-12(10)19-13(18)16-17-14(19)22-6-9(15)20/h2-6H2,1H3,(H2,15,20)

Composition: C (48.12%), H (4.33%), N (20.04%), O (9.16%), S (18.35%)

Molar Mass: 349.43

Atom Count: 38

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	349.066717091
Formal Charge	0
FSP3	0.43
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DEDSKFHMCKNMFT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.26
Topological Polar Surface Area	94.11
Polarizability	33.24
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H15N5O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00