80463-89-4
N-CYCLOHEXYL-N-(2-(3,4-DIMETHOXYPHENYL)ETHYL)-4-((1-METHYL-1H-TETRAZOL-5-YL)THIO)BUTANAMIDE
NameN-CYCLOHEXYL-N-(2-(3,4-DIMETHOXYPHENYL)ETHYL)-4-((1-METHYL-1H-TETRAZOL-5-YL)THIO)BUTANAMIDE
pro_formulaC22 H33 N5 O3 S
1Identification
【Name】
N-CYCLOHEXYL-N-(2-(3,4-DIMETHOXYPHENYL)ETHYL)-4-((1-METHYL-1H-TETRAZOL-5-YL)THIO)BUTANAMIDE
【CAS】
【MDL】
MFCD01751508
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H33 N5 O3 S
【pro_molWeight】
447.601
【Inchi】
InChI=1S/C22H33N5O3S/c1-26-22(23-24-25-26)31-15-7-10-21(28)27(18-8-5-4-6-9-18)14-13-17-11-12-19(29-2)20(16-17)30-3/h11-12,16,18H,4-10,13-15H2,1-3H3
【InChIKey】
InChIKey=ZTWBFLALLWDVQG-UHFFFAOYSA-N
【SMILES】
Cn1c(nnn1)SCCCC(=O)N(CCc2ccc(c(c2)OC)OC)C3CCCCC3
【MOL File】
N-CYCLOHEXYL-N-(2-(3….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:8
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-CYCLOHEXYL-N-(2-(3,4-DIMETHOXYPHENYL)ETHYL)-4-((1-METHYL-1H-TETRAZOL-5-YL)THIO)BUTANAMIDE.cml