96885-57-3
7-P-METHOXYBENZOYLMETHYL-8-N-PIPERIDINOTHEOPHYLLINE
Name7-P-METHOXYBENZOYLMETHYL-8-N-PIPERIDINOTHEOPHYLLINE
1Identification
【Name】
7-P-METHOXYBENZOYLMETHYL-8-N-PIPERIDINOTHEOPHYLLINE
【CAS】
【MDL】
MFCD01694274
【English Synonyms】
【Formula】
C21 H25 N5 O4
【MolWeight】
411.46
【Inchi】
InChI=1S/C21H25N5O4/c1-23-18-17(19(28)24(2)21(23)29)26(20(22-18)25-11-5-4-6-12-25)13-16(27)14-7-9-15(30-3)10-8-14/h7-10H,4-6,11-13H2,1-3H3
【InChIKey】
InChIKey=SQSYEEJQSVKUJX-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)n(c(n2)N3CCCCC3)CC(=O)c4ccc(cc4)OC
【MOL File】
7-P-METHOXYBENZOYLME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-P-METHOXYBENZOYLMETHYL-8-N-PIPERIDINOTHEOPHYLLINE.cml