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Chemical ID: 7430185
Chemical ID:
7430185
Name [?]:
2-(4-formyl-2-methoxy-phenoxy)-N-(2-naphthyl)acetamide
SMILES [?]:
COc1cc(ccc1OCC(=O)Nc2ccc3ccccc3c2)C=O
InChi [?]:
InChI=1/C20H17NO4/c1-24-19-10-14(12-22)6-9-18(19)25-13-20(23)21-17-8-7-15-4-2-3-5-16(15)11-17/h2-12H,13H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,21,6,16,15,7,4,23,24,10,5,17,22,14,8,3,11,13,25,12,2,9/rA:25nCOCCCCCCOCCONCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;s17;d18;s19;d20;d17s21;d14s22;s5;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17NO4 |
All Atoms: | 42 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.84962 |
Area: | 556.421 |
Solvation: | -8.06091 |
Coulombic: | -41.5315 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 335.353 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.28 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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