Specs - Compound Management services and Research Compounds for the Life Science industry

Specs ID search result

AN-648/42152045 is not available from stock
(request for resupply)

Compound details
MDL #:		MFCD04151107
Formula:		C19 H18 Br N3 O3 S
Weight:		448.34
Chiral info:		Not available
Name:		N-(4-bromophenyl)-2-({5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
SMILES:		CCc1ccc(cc1)OCc2nnc(o2)SCC(=O)Nc3ccc(cc3)Br
InChI^TM:		InChI=1S/C19H18BrN3O3S/c1-2-13-3-9-16(10-4-13)25-11-18-22-23-19(26-18)27-12-17(24)21-15-7-5-14(20)6-8-15/h3-10H,2,11-12H2,1H3,(H,21,24)
InChIKey^TM:		WBVHHBYVSFDTTO-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		6490 mg/Kg
Chronic LOAEL:		3.28 mg/Kg

Chemical properties calculations
LogP:	3.97	H-acceptors: 4
LogS:	-5.86	H-donors: 1
tPSA:	102.55 Å²	Rotatable bonds: 9

Receive your compounds in clear glass vials within 5 working days after ordering via Specs.net. Please logon to Specs.net using your personal account or register as new user here.

Disclaimer: Predicted physical and biological properties, such as toxicity, mentioned on this website are indicative only and may not be relied upon in any way. Liability for damages of any kind resulting from reliance on these properties is expressly rejected.