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Chemical ID: 4571298
Chemical ID:
4571298
Name [?]:
N-(2,4-dimethoxyphenyl)-2-(4-methyl-2-oxo-chromen-7-yl)oxy-acetamide
SMILES [?]:
Cc1cc(=O)oc2c1ccc(c2)OCC(=O)Nc3ccc(cc3OC)OC
InChi [?]:
InChI=1/C20H19NO6/c1-12-8-20(23)27-17-10-14(4-6-15(12)17)26-11-19(22)21-16-7-5-13(24-2)9-18(16)25-3/h4-10H,11H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,27,25,10,20,9,19,3,22,12,14,2,21,11,8,18,7,23,15,4,17,16,5,26,24,13,6/rA:27nCCCCOOCCCCCCOCCONCCCCCCOCOC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s24;s21;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO6 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.39424 |
Area: | 586.43 |
Solvation: | -7.2665 |
Coulombic: | -60.0528 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 369.368 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.61 |
LogP (Chemaxon): | 2.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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