1020172-07-9
DCC-2036
Name
DCC-2036
Formula
C30 H28 F N7 O3
MolWeight
553.595
1Identification
【Name】
DCC-2036
【CAS】
1020172-07-9
;357263-13-9
【MDL】
MFCD19443646
【English Synonyms】
【Formula】
C30 H28 F N7 O3
【MolWeight】
553.595
【Inchi】
InChI=1S/C30H28FN7O3/c1-30(2,3)26-17-27(38(37-26)19-7-9-23-18(14-19)6-5-12-33-23)36-29(40)35-24-10-8-20(15-22(24)31)41-21-11-13-34-25(16-21)28(39)32-4/h5-17H,1-4H3,(H,32,39)(H2,35,36,40)
【InChIKey】
InChIKey=WVXNSAVVKYZVOE-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:10
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DCC-2036.cml
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