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Chemical ID: 6400550
Chemical ID:
6400550
Name [?]:
N-[(3,4-dimethoxyphenyl)methyleneamino]naphthalene-1-carboxamide
SMILES [?]:
COc1ccc(cc1OC)C=NNC(=O)c2cccc3c2cccc3
InChi [?]:
InChI=1/C20H18N2O3/c1-24-18-11-10-14(12-19(18)25-2)13-21-22-20(23)17-9-5-7-15-6-3-4-8-16(15)17/h3-13H,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,24,23,18,25,19,22,17,5,4,7,11,6,20,21,16,3,8,14,12,13,15,2,9/rA:25nCOCCCCCCOCCNNCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.02182 |
Area: | 539.163 |
Solvation: | -6.45726 |
Coulombic: | -34.911 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 334.369 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.82 |
LogP (Chemaxon): | 3.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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