539808-65-6
N-ISOPROPYL-2-[[4-(4-METHOXYPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-PHENYLACETAMIDE
NameN-ISOPROPYL-2-[[4-(4-METHOXYPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-PHENYLACETAMIDE
pro_formulaC27 H28 N4 O3 S
1Identification
【Name】
N-ISOPROPYL-2-[[4-(4-METHOXYPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-PHENYLACETAMIDE
【CAS】
【MDL】
MFCD03460688
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C27 H28 N4 O3 S
【pro_molWeight】
488.609
【Inchi】
InChI=1S/C27H28N4O3S/c1-20(2)30(21-10-6-4-7-11-21)26(32)19-35-27-29-28-25(18-34-24-12-8-5-9-13-24)31(27)22-14-16-23(33-3)17-15-22/h4-17,20H,18-19H2,1-3H3
【InChIKey】
InChIKey=SUCYVIBLSXRJRY-UHFFFAOYSA-N
【SMILES】
CC(C)N(c1ccccc1)C(=O)CSc2nnc(n2c3ccc(cc3)OC)COc4ccccc4
【MOL File】
N-ISOPROPYL-2-[[4-(4….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:7
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-ISOPROPYL-2-[[4-(4-METHOXYPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-PHENYLACETAMIDE.cml