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Chemical ID: 7128740
Chemical ID:
7128740
Name [?]:
N,N-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILES [?]:
COc1cc2c(cc1OC)CN(CC2)C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C18H20N2O3/c1-22-16-10-13-8-9-20(12-14(13)11-17(16)23-2)18(21)19-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,10,21,20,22,19,23,14,13,4,7,11,5,6,18,3,8,15,17,12,16,2,9/E:(4,5)(6,7)/rA:23nCOCCCCCCOCCNCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s5s13;s12;d15;s15;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O3 |
All Atoms: | 43 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.1591 |
Area: | 510.232 |
Solvation: | -5.59669 |
Coulombic: | -44.4174 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 312.363 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.18 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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