2-chloro-N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}benzamide

2-chloro-N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}benzamide

Formula: C17H15ClN2OS

SMILES: ClC1=CC=CC=C1C(=O)NC1=C(C#N)C2=C(CCCCC2)S1

IUPAC: 2-chloro-N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}benzamide

InChI: InChI=1S/C17H15ClN2OS/c18-14-8-5-4-7-12(14)16(21)20-17-13(10-19)11-6-2-1-3-9-15(11)22-17/h4-5,7-8H,1-3,6,9H2,(H,20,21)

Composition: C (61.72%), H (4.57%), Cl (10.72%), N (8.47%), O (4.84%), S (9.69%)

Molar Mass: 330.83

Atom Count: 37

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	330.059362
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	RPGPSGQCVKPALQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	90.4
Topological Polar Surface Area	52.89
Polarizability	33.65
Ring Count	3
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H15ClN2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00