Chemical ID: 7352836

COc1cc2c(cc1OC)CN(CC2)C(=O)CN3CCc4ccccc4C3
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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