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Chemical ID: 6847374
Chemical ID:
6847374
Name [?]:
2-[2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxo-chromen-3-yl]oxyacetyl]aminobenzamide
SMILES [?]:
Cc1cc(c2c(c1)oc(c(c2=O)OCC(=O)Nc3ccccc3C(=O)N)c4ccc(c(c4)OC)OC)C
InChi [?]:
InChI=1/C28H26N2O7/c1-15-11-16(2)24-22(12-15)37-26(17-9-10-20(34-3)21(13-17)35-4)27(25(24)32)36-14-23(31)30-19-8-6-5-7-18(19)28(29)33/h5-13H,14H2,1-4H3,(H2,29,33)(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,37,36,34,21,20,22,19,28,29,3,7,32,14,2,4,27,23,18,30,31,6,15,5,11,9,10,24,26,17,16,12,25,35,33,13,8/rA:37nCCCCCCCOCCCOOCCONCCCCCCCONCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;d24;s24;s9;s27;d28;s29;d30;d27s31;s31;s33;s30;s35;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H26N2O7 |
All Atoms: | 63 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.87396 |
Area: | 735.057 |
Solvation: | -8.50248 |
Coulombic: | -86.3891 |
Bond Count [?]
All: | 40 |
Single: | 27 |
Double: | 13 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 502.515 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | 4.36 |
LogP (Chemaxon): | 4.18 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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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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