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Chemical ID: 6879844
Chemical ID:
6879844
Name [?]:
methyl 2-[2-[2-(2-furyl)-6-methyl-4-oxo-chromen-3-yl]oxyacetyl]aminobenzoate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)Nc4ccccc4C(=O)OC
InChi [?]:
InChI=1/C24H19NO7/c1-14-9-10-18-16(12-14)21(27)23(22(32-18)19-8-5-11-30-19)31-13-20(26)25-17-7-4-3-6-15(17)24(28)29-2/h3-12H,13H2,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,32,26,25,15,27,24,14,3,4,16,7,19,2,28,6,23,5,13,20,8,11,10,29,22,21,9,30,31,17,18,12/rA:32nCCCCCCCCOCCOCCCCOOCCONCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;d29;s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19NO7 |
All Atoms: | 51 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0179 |
Area: | 648.581 |
Solvation: | -6.19661 |
Coulombic: | -73.1397 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 433.41 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.11 |
LogP (Chemaxon): | 4.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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