83130-83-0
EXO-5-BROMO-2,3-DIMETHOXY-N-(8-(PHENYLMETHYL)-8-AZABICYCLO(3.2.1)OCT-3-YL)BENZAMIDE
NameEXO-5-BROMO-2,3-DIMETHOXY-N-(8-(PHENYLMETHYL)-8-AZABICYCLO(3.2.1)OCT-3-YL)BENZAMIDE
1Identification
【Name】
EXO-5-BROMO-2,3-DIMETHOXY-N-(8-(PHENYLMETHYL)-8-AZABICYCLO(3.2.1)OCT-3-YL)BENZAMIDE
【CAS】
【MDL】
MFCD01757481
【English Synonyms】
【Formula】
C23 H27 Br N2 O3
【MolWeight】
459.381
【Inchi】
InChI=1S/C23H27BrN2O3/c1-28-21-11-16(24)10-20(22(21)29-2)23(27)25-17-12-18-8-9-19(13-17)26(18)14-15-6-4-3-5-7-15/h3-7,10-11,17-19H,8-9,12-14H2,1-2H3,(H,25,27)/t17-,18-,19+
【InChIKey】
InChIKey=CDTFYDSDYGNUHU-LDLYASANSA-N
【SMILES】
COc1cc(cc(c1OC)C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)Br
【MOL File】
EXO-5-BROMO-2,3-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
EXO-5-BROMO-2,3-DIMETHOXY-N-(8-(PHENYLMETHYL)-8-AZABICYCLO(3.2.1)OCT-3-YL)BENZAMIDE.cml