N-{5-[(1E)-2-(4-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-yl}cyclohexanecarboxamide

N-{5-[(1E)-2-(4-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-yl}cyclohexanecarboxamide

Formula: C17H18ClN3OS

SMILES: ClC1=CC=C(C=CC2=NN=C(NC(=O)C3CCCCC3)S2)C=C1

IUPAC: N-{5-[(1E)-2-(4-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-yl}cyclohexanecarboxamide

InChI: InChI=1S/C17H18ClN3OS/c18-14-9-6-12(7-10-14)8-11-15-20-21-17(23-15)19-16(22)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,19,21,22)/b11-8+

Composition: C (58.70%), H (5.22%), Cl (10.19%), N (12.08%), O (4.60%), S (9.22%)

Molar Mass: 347.86

Atom Count: 41

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	347.0859111
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GSTZECIRUBVVOA-DHZHZOJOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.59
Topological Polar Surface Area	54.88
Polarizability	35.53
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H18ClN3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00