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Chemical ID: 5513325
Chemical ID:
5513325
Name [?]:
N-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonylmethyl]furan-2-carboxamide
SMILES [?]:
COc1cc2c(cc1OC)CN(CC2)C(=O)CNC(=O)c3ccco3
InChi [?]:
InChI=1/C18H20N2O5/c1-23-15-8-12-5-6-20(11-13(12)9-16(15)24-2)17(21)10-19-18(22)14-4-3-7-25-14/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,10,23,22,14,13,24,4,7,17,11,5,6,21,3,8,15,19,18,12,16,20,2,9,25/rA:25nCOCCCCCCOCCNCCCOCNCOCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s5s13;s12;d15;s15;s17;s18;d19;s19;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.07711 |
Area: | 559.473 |
Solvation: | -6.90972 |
Coulombic: | -59.4918 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 344.362 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 0.56 |
LogP (Chemaxon): | 0.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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