895525-38-9
5-HYDROXY-N-(3-SPIRO[4H-1,3-BENZODIOXIN-2,4'-PIPERIDIN]-6-YLPHENYL)-1H-INDOLE-3-ACETAMIDE
Name5-HYDROXY-N-(3-SPIRO[4H-1,3-BENZODIOXIN-2,4'-PIPERIDIN]-6-YLPHENYL)-1H-INDOLE-3-ACETAMIDE
1Identification
【Name】
5-HYDROXY-N-(3-SPIRO[4H-1,3-BENZODIOXIN-2,4'-PIPERIDIN]-6-YLPHENYL)-1H-INDOLE-3-ACETAMIDE
【CAS】
【MDL】
MFCD16660661
【English Synonyms】
【Formula】
C28 H27 N3 O4
【MolWeight】
469.538
【Inchi】
InChI=1S/C28H27N3O4/c32-23-6-7-25-24(15-23)21(16-30-25)14-27(33)31-22-3-1-2-18(12-22)19-4-5-20-17-34-28(35-26(20)13-19)8-10-29-11-9-28/h1-7,12-13,15-16,29-30,32H,8-11,14,17H2,(H,31,33)
【InChIKey】
InChIKey=CMYWGCCFLMQNSQ-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)NC(=O)Cc2c[nH]c3c2cc(cc3)O)c4ccc5c(c4)OC6(CCNCC6)OC5
【MOL File】
5-HYDROXY-N-(3-SPIRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-HYDROXY-N-(3-SPIRO[4H-1,3-BENZODIOXIN-2,4'-PIPERIDIN]-6-YLPHENYL)-1H-INDOLE-3-ACETAMIDE.cml