510712-16-0
3-HYDROXY-4-(4-ISOPROPOXY-3-METHYLBENZOYL)-1-(3-METHOXYPROPYL)-5-(4-PYRIDINYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
Name3-HYDROXY-4-(4-ISOPROPOXY-3-METHYLBENZOYL)-1-(3-METHOXYPROPYL)-5-(4-PYRIDINYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
1Identification
【Name】
3-HYDROXY-4-(4-ISOPROPOXY-3-METHYLBENZOYL)-1-(3-METHOXYPROPYL)-5-(4-PYRIDINYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
【CAS】
【MDL】
MFCD03681079
【English Synonyms】
【Formula】
C24 H28 N2 O5
【MolWeight】
424.494
【Inchi】
InChI=1S/C24H28N2O5/c1-15(2)31-19-7-6-18(14-16(19)3)22(27)20-21(17-8-10-25-11-9-17)26(12-5-13-30-4)24(29)23(20)28/h6-11,14-15,21,28H,5,12-13H2,1-4H3
【InChIKey】
InChIKey=LRKXDYGAEOPIDW-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1OC(C)C)C(=O)C2=C(C(=O)N(C2c3ccncc3)CCCOC)O
【MOL File】
3-HYDROXY-4-(4-ISOPR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-HYDROXY-4-(4-ISOPROPOXY-3-METHYLBENZOYL)-1-(3-METHOXYPROPYL)-5-(4-PYRIDINYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE.cml