76352-18-6
EXO-4-AMINO-5-CHLORO-2-METHOXY-N-(8-(2-THENYL)-8-AZABICYCLO(3.2.1)OCT-3-YL)BENZAMIDE
NameEXO-4-AMINO-5-CHLORO-2-METHOXY-N-(8-(2-THENYL)-8-AZABICYCLO(3.2.1)OCT-3-YL)BENZAMIDE
FormulaC20 H24 Cl N3 O2 S
1Identification
【Name】
EXO-4-AMINO-5-CHLORO-2-METHOXY-N-(8-(2-THENYL)-8-AZABICYCLO(3.2.1)OCT-3-YL)BENZAMIDE
【CAS】
【MDL】
MFCD01757441
【English Synonyms】
【Formula】
C20 H24 Cl N3 O2 S
【MolWeight】
405.948
【Inchi】
InChI=1S/C20H24ClN3O2S/c1-26-19-10-18(22)17(21)9-16(19)20(25)23-12-7-13-4-5-14(8-12)24(13)11-15-3-2-6-27-15/h2-3,6,9-10,12-14H,4-5,7-8,11,22H2,1H3,(H,23,25)/t12-,13-,14+
【InChIKey】
InChIKey=BCEZTBZSKVNZQI-ZSOGYDGISA-N
【SMILES】
COc1cc(c(cc1C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc4cccs4)Cl)N
【MOL File】
EXO-4-AMINO-5-CHLORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
EXO-4-AMINO-5-CHLORO-2-METHOXY-N-(8-(2-THENYL)-8-AZABICYCLO(3.2.1)OCT-3-YL)BENZAMIDE.cml