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Chemical ID: 4017382
Chemical ID:
4017382
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)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H19ClN2O3/c1-23-16-9-12-7-8-21(11-13(12)10-17(16)24-2)18(22)20-15-5-3-14(19)4-6-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,10,20,22,19,23,14,13,4,7,11,5,6,21,18,3,8,15,24,17,12,16,2,9/E:(3,4)(5,6)/rA:24nCOCCCCCCOCCNCCCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s5s13;s12;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19ClN2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.05488 |
Area: | 545.141 |
Solvation: | -5.57365 |
Coulombic: | -44.4306 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 346.808 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.8 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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