96795-00-5
(4R,5R)-4,5-DIHYDRO-5-[4-(METHYLSULFONYL)PHENYL]-2-PHENYL-4-OXAZOLEMETHANOL
Name(4R,5R)-4,5-DIHYDRO-5-[4-(METHYLSULFONYL)PHENYL]-2-PHENYL-4-OXAZOLEMETHANOL
pro_formulaC17 H17 N O4 S
1Identification
【Name】
(4R,5R)-4,5-DIHYDRO-5-[4-(METHYLSULFONYL)PHENYL]-2-PHENYL-4-OXAZOLEMETHANOL
【CAS】
【MDL】
MFCD16293819
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H17 N O4 S
【pro_molWeight】
331.39
【Inchi】
InChI=1S/C17H17NO4S/c1-23(20,21)14-9-7-12(8-10-14)16-15(11-19)18-17(22-16)13-5-3-2-4-6-13/h2-10,15-16,19H,11H2,1H3/t15-,16-/m1/s1
【InChIKey】
InChIKey=BOCXPQQPWOKDFW-HZPDHXFCSA-N
【SMILES】
CS(=O)(=O)c1ccc(cc1)[C@@H]2[C@H](N=C(O2)c3ccccc3)CO
【MOL File】
(4R,5R)-4,5-DIHYDRO-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(4R,5R)-4,5-DIHYDRO-5-[4-(METHYLSULFONYL)PHENYL]-2-PHENYL-4-OXAZOLEMETHANOL.cml