2-bromo-N-(5-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide

2-bromo-N-(5-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide

Formula: C17H19BrN4O2S2

SMILES: BrC1=CC=CC=C1C(=O)NC1=NN=C(SCC(=O)NC2CCCCC2)S1

IUPAC: 2-bromo-N-(5-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide

InChI: InChI=1S/C17H19BrN4O2S2/c18-13-9-5-4-8-12(13)15(24)20-16-21-22-17(26-16)25-10-14(23)19-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,19,23)(H,20,21,24)

Composition: C (44.84%), H (4.21%), Br (17.55%), N (12.30%), O (7.03%), S (14.08%)

Molar Mass: 455.39

Atom Count: 45

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	454.013281
Formal Charge	0
FSP3	0.41
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	XOKYJBOFHJYZMB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.22
Topological Polar Surface Area	83.98
Polarizability	41.07
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H19BrN4O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00