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Chemical ID: 6847230
Chemical ID:
6847230
Name [?]:
N-(4-dimethylaminophenyl)-2-[2-(2-furyl)-6,8-dimethyl-4-oxo-chromen-3-yl]oxy-acetamide
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)Nc4ccc(cc4)N(C)C)C
InChi [?]:
InChI=1/C25H24N2O5/c1-15-12-16(2)23-19(13-15)22(29)25(24(32-23)20-6-5-11-30-20)31-14-21(28)26-17-7-9-18(10-8-17)27(3)4/h5-13H,14H2,1-4H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,32,30,31,15,14,24,28,25,27,16,3,7,19,2,4,23,26,6,13,20,8,5,11,10,22,29,21,9,17,18,12/E:(3,4)(7,8)(9,10)/rA:32nCCCCCCCCOCCOCCCCOOCCONCCCCCCNCCC/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;s26;s29;s29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24N2O5 |
All Atoms: | 56 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2154 |
Area: | 663.241 |
Solvation: | -6.3656 |
Coulombic: | -58.4097 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 432.469 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.18 |
LogP (Chemaxon): | 4.6 |
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
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Chemical Mix | Source | External ID | Descriptor | Value |
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