2-(1,3-benzoxazol-2-ylsulfanyl)-N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}acetamide

Formula: C17H13N3O2S2

SMILES: O=C(CSC1=NC2=CC=CC=C2O1)NC1=C(C#N)C2=C(CCC2)S1

IUPAC: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}acetamide

InChI: InChI=1S/C17H13N3O2S2/c18-8-11-10-4-3-7-14(10)24-16(11)20-15(21)9-23-17-19-12-5-1-2-6-13(12)22-17/h1-2,5-6H,3-4,7,9H2,(H,20,21)

Composition: C (57.45%), H (3.69%), N (11.82%), O (9.00%), S (18.04%)

Molar Mass: 355.43

Atom Count: 37

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	355.044919019
Formal Charge	0
FSP3	0.24
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MYMWRZGVEVSXID-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.27
Topological Polar Surface Area	78.92
Polarizability	36.53
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H13N3O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00