Chemical ID: 7432746

CC(C)(C)OC(=O)C1CC2C=CC(=O)C1N2Cc3cccc(c3)OC
Chemical ID:
7432746
Name [?]:
tert-butyl 8-[(3-methoxyphenyl)methyl]-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carboxylate
SMILES [?]:
CC(C)(C)OC(=O)C1CC2C=CC(=O)C1N2Cc3cccc(c3)OC
InChi [?]:
InChI=1/C20H25NO4/c1-20(2,3)25-19(23)16-11-14-8-9-17(22)18(16)21(14)12-13-6-5-7-15(10-13)24-4/h5-10,14,16,18H,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,25,20,19,21,11,12,23,9,17,18,10,22,8,13,15,6,2,16,14,7,24,5/E:(1,2,3)/rA:25cCCCCOCOCCCCCCOCNCCCCCCCOC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s12;d13;s8s13;s10s15;s16;s17;s18;d19;s20;d21;d18s22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25NO4
All Atoms:50
Heavy Atoms:25
Chiral Atoms:4
ZAP Information [?]
Total:8.6495
Area:531.863
Solvation:-4.64708
Coulombic:-39.2906
Bond Count [?]
All:27
Single:21
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:343.417
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.75
LogP (Chemaxon):3.07

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