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Chemical ID: 7352836
Chemical ID:
7352836
Name [?]:
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethanone
SMILES [?]:
COc1cc2c(cc1OC)CN(CC2)C(=O)CN3CCc4ccccc4C3
InChi [?]:
InChI=1/C22H26N2O3/c1-26-20-11-17-8-10-24(14-19(17)12-21(20)27-2)22(25)15-23-9-7-16-5-3-4-6-18(16)13-23/h3-6,11-12H,7-10,13-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,23,24,22,25,20,14,19,13,4,7,27,11,17,21,5,26,6,3,8,15,18,12,16,2,9/rA:27cCOCCCCCCOCCNCCCOCNCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s5s13;s12;d15;s15;s17;s18;s19;s20;s21;d22;s23;d24;d21s25;s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H26N2O3 |
All Atoms: | 53 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.62295 |
Area: | 579.048 |
Solvation: | -6.85326 |
Coulombic: | -35.0235 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.05 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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