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Chemical ID: 4569705
Chemical ID:
4569705
Name [?]:
ethyl 3-[2-(2-oxo-4-phenyl-chromen-7-yl)oxyacetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1cccc(c1)NC(=O)COc2ccc3c(cc(=O)oc3c2)c4ccccc4
InChi [?]:
InChI=1/C26H21NO6/c1-2-31-26(30)18-9-6-10-19(13-18)27-24(28)16-32-20-11-12-21-22(17-7-4-3-5-8-17)15-25(29)33-23(21)14-20/h3-15H,2,16H2,1H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,31,30,32,8,29,33,7,9,18,19,11,27,22,15,28,6,10,17,20,21,26,13,23,4,12,14,24,5,3,16,25/E:(4,5)(7,8)/rA:33nCCOCOCCCCCCNCOCOCCCCCCCOOCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s15;s16;s17;d18;s19;s20;d21;s22;d23;s23;d20s25;d17s26;s21;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H21NO6 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8624 |
Area: | 699.647 |
Solvation: | -6.62881 |
Coulombic: | -66.8578 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 443.448 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.64 |
LogP (Chemaxon): | 4.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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