23192-91-8
1,3-BIS(PIPERIDINOMETHYL)-5-ETHYL-5-PHENYLBARBITURIC ACID
Name1,3-BIS(PIPERIDINOMETHYL)-5-ETHYL-5-PHENYLBARBITURIC ACID
1Identification
【Name】
1,3-BIS(PIPERIDINOMETHYL)-5-ETHYL-5-PHENYLBARBITURIC ACID
【CAS】
【MDL】
MFCD01665824
【English Synonyms】
【Formula】
C24 H34 N4 O3
【MolWeight】
426.558
【Inchi】
InChI=1S/C24H34N4O3/c1-2-24(20-12-6-3-7-13-20)21(29)27(18-25-14-8-4-9-15-25)23(31)28(22(24)30)19-26-16-10-5-11-17-26/h3,6-7,12-13H,2,4-5,8-11,14-19H2,1H3
【InChIKey】
InChIKey=JDPUAECPKWLADB-UHFFFAOYSA-N
【SMILES】
CCC1(C(=O)N(C(=O)N(C1=O)CN2CCCCC2)CN3CCCCC3)c4ccccc4
【MOL File】
1,3-BIS(PIPERIDINOME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3-BIS(PIPERIDINOMETHYL)-5-ETHYL-5-PHENYLBARBITURIC ACID.cml