539811-51-3
N-ISOPROPYL-2-[(4-(3-METHYLPHENYL)-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-PHENYLACETAMIDE
NameN-ISOPROPYL-2-[(4-(3-METHYLPHENYL)-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-PHENYLACETAMIDE
1Identification
【Name】
N-ISOPROPYL-2-[(4-(3-METHYLPHENYL)-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-PHENYLACETAMIDE
【CAS】
【MDL】
MFCD05154914
【English Synonyms】
【Formula】
C28 H30 N4 O S2
【MolWeight】
502.704
【Inchi】
InChI=1S/C28H30N4OS2/c1-20(2)31(23-10-6-5-7-11-23)27(33)19-35-28-30-29-26(18-34-25-15-13-21(3)14-16-25)32(28)24-12-8-9-22(4)17-24/h5-17,20H,18-19H2,1-4H3
【InChIKey】
InChIKey=HQGVGTDPXPNITA-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)SCc2nnc(n2c3cccc(c3)C)SCC(=O)N(c4ccccc4)C(C)C
【MOL File】
N-ISOPROPYL-2-[(4-(3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-ISOPROPYL-2-[(4-(3-METHYLPHENYL)-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-PHENYLACETAMIDE.cml