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Chemical ID: 6847223
Chemical ID:
6847223
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-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(c(c4)Cl)OC)C
InChi [?]:
InChI=1/C24H20ClNO6/c1-13-9-14(2)22-16(10-13)21(28)24(23(32-22)19-5-4-8-30-19)31-12-20(27)26-15-6-7-18(29-3)17(25)11-15/h4-11H,12H2,1-3H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,32,31,15,14,24,25,16,3,7,28,19,2,4,23,6,27,26,13,20,8,5,11,10,29,22,21,9,30,17,18,12/rA:32nCCCCCCCCOCCOCCCCOOCCONCCCCCCClOCC/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;s27;s26;s30;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20ClNO6 |
All Atoms: | 52 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.35095 |
Area: | 669.082 |
Solvation: | -7.3761 |
Coulombic: | -59.5083 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 453.871 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.51 |
LogP (Chemaxon): | 4.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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