59184-78-0
BUQUINERAN
Name
BUQUINERAN
Formula
C20 H29 N5 O3
MolWeight
387.481
1Identification
【Name】
BUQUINERAN
【CAS】
【MDL】
MFCD00867622
【English Synonyms】
【Formula】
C20 H29 N5 O3
【MolWeight】
387.481
【Inchi】
InChI=1S/C20H29N5O3/c1-4-5-8-21-20(26)24-14-6-9-25(10-7-14)19-15-11-17(27-2)18(28-3)12-16(15)22-13-23-19/h11-14H,4-10H2,1-3H3,(H2,21,24,26)
【InChIKey】
InChIKey=CPZHDDGPHQRMEJ-UHFFFAOYSA-N
【SMILES】
CCCCNC(=O)NC1CCN(CC1)c2c3cc(c(cc3ncn2)OC)OC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BUQUINERAN.cml
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