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Chemical ID: 4554503
Chemical ID:
4554503
Name [?]:
2-(6-ethyl-4-methyl-2-oxo-chromen-7-yl)oxy-N-(p-tolyl)acetamide
SMILES [?]:
CCc1cc2c(cc(=O)oc2cc1OCC(=O)Nc3ccc(cc3)C)C
InChi [?]:
InChI=1/C21H21NO4/c1-4-15-10-17-14(3)9-21(24)26-19(17)11-18(15)25-12-20(23)22-16-7-5-13(2)6-8-16/h5-11H,4,12H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,26,2,21,23,20,24,7,4,12,15,22,6,3,19,5,13,11,16,8,18,17,9,14,10/E:(5,6)(7,8)/rA:26nCCCCCCCCOOCCCOCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s8;s5s10;d11;d3s12;s13;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21NO4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.45285 |
Area: | 581.585 |
Solvation: | -5.08676 |
Coulombic: | -46.4969 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 351.396 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.91 |
LogP (Chemaxon): | 4.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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