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Chemical ID: 6908664
Chemical ID:
6908664
Name [?]:
N-benzyl-2-[2-(2-furyl)-4-oxo-chromen-3-yl]oxy-acetamide
SMILES [?]:
c1ccc(cc1)CNC(=O)COc2c(=O)c3ccccc3oc2c4ccco4
InChi [?]:
InChI=1/C22H17NO5/c24-19(23-13-15-7-2-1-3-8-15)14-27-22-20(25)16-9-4-5-10-17(16)28-21(22)18-11-6-12-26-18/h1-12H,13-14H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,19,26,3,5,17,20,25,27,7,11,4,16,21,24,9,14,23,13,8,10,15,28,12,22/E:(2,3)(7,8)/rA:28nCCCCCCCNCOCOCCOCCCCCCOCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17NO5 |
All Atoms: | 45 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.96342 |
Area: | 590.597 |
Solvation: | -5.80151 |
Coulombic: | -54.8307 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 375.374 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.45 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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