510712-21-7
3-HYDROXY-4-(4-ISOPROPOXY-3-METHYLBENZOYL)-1-[3-(4-MORPHOLINYL)PROPYL]-5-(4-PYRIDINYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
Name3-HYDROXY-4-(4-ISOPROPOXY-3-METHYLBENZOYL)-1-[3-(4-MORPHOLINYL)PROPYL]-5-(4-PYRIDINYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
1Identification
【Name】
3-HYDROXY-4-(4-ISOPROPOXY-3-METHYLBENZOYL)-1-[3-(4-MORPHOLINYL)PROPYL]-5-(4-PYRIDINYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
【CAS】
【MDL】
MFCD03724187
【English Synonyms】
【Formula】
C27 H33 N3 O5
【MolWeight】
479.574
【Inchi】
InChI=1S/C27H33N3O5/c1-18(2)35-22-6-5-21(17-19(22)3)25(31)23-24(20-7-9-28-10-8-20)30(27(33)26(23)32)12-4-11-29-13-15-34-16-14-29/h5-10,17-18,24,32H,4,11-16H2,1-3H3
【InChIKey】
InChIKey=KULCGQLWHGXKES-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1OC(C)C)C(=O)C2=C(C(=O)N(C2c3ccncc3)CCCN4CCOCC4)O
【MOL File】
3-HYDROXY-4-(4-ISOPR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-HYDROXY-4-(4-ISOPROPOXY-3-METHYLBENZOYL)-1-[3-(4-MORPHOLINYL)PROPYL]-5-(4-PYRIDINYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE.cml