N-{7-thia-9,11-diazatricyclo[6.4.0.0²,?]dodeca-1(12),2(6),8,10-tetraen-12-yl}furan-2-carboxamide

N-{7-thia-9,11-diazatricyclo[6.4.0.0²,?]dodeca-1(12),2(6),8,10-tetraen-12-yl}furan-2-carboxamide

Formula: C14H11N3O2S

SMILES: O=C(NC1=C2C3=C(CCC3)SC2=NC=N1)C1=CC=CO1

IUPAC: N-{7-thia-9,11-diazatricyclo[6.4.0.0²,?]dodeca-1(12),2(6),8,10-tetraen-12-yl}furan-2-carboxamide

InChI: InChI=1S/C14H11N3O2S/c18-13(9-4-2-6-19-9)17-12-11-8-3-1-5-10(8)20-14(11)16-7-15-12/h2,4,6-7H,1,3,5H2,(H,15,16,17,18)

Composition: C (58.94%), H (3.89%), N (14.73%), O (11.21%), S (11.24%)

Molar Mass: 285.32

Atom Count: 31

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	285.05719778
Formal Charge	0
FSP3	0.21
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OVGASGNVMUPNRX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.07
Topological Polar Surface Area	68.02
Polarizability	28.22
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H11N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00