926247-37-2
2-CYCLOHEXYL-4-METHYL-6-(3-PHENYLPROPYLSULFANYL)PYRIMIDINE-5-CARBOXYLIC ACID
Name2-CYCLOHEXYL-4-METHYL-6-(3-PHENYLPROPYLSULFANYL)PYRIMIDINE-5-CARBOXYLIC ACID
pro_formulaC21 H26 N2 O2 S
1Identification
【Name】
2-CYCLOHEXYL-4-METHYL-6-(3-PHENYLPROPYLSULFANYL)PYRIMIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09042846
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H26 N2 O2 S
【pro_molWeight】
370.514
【Inchi】
InChI=1S/C21H26N2O2S/c1-15-18(21(24)25)20(23-19(22-15)17-12-6-3-7-13-17)26-14-8-11-16-9-4-2-5-10-16/h2,4-5,9-10,17H,3,6-8,11-14H2,1H3,(H,24,25)
【InChIKey】
InChIKey=VQSGGALEPPSRBH-UHFFFAOYSA-N
【SMILES】
Cc1c(c(nc(n1)C2CCCCC2)SCCCc3ccccc3)C(=O)O
【MOL File】
2-CYCLOHEXYL-4-METHY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-CYCLOHEXYL-4-METHYL-6-(3-PHENYLPROPYLSULFANYL)PYRIMIDINE-5-CARBOXYLIC ACID.cml