Chemical ID: 6847428

Cc1cc(c2c(c1)oc(c(c2=O)OCC(=O)Nc3cccc(c3)Cl)c4ccc(cc4)OC)C
Chemical ID:
6847428
Name [?]:
N-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl-4-oxo-chromen-3-yl]oxy-acetamide
SMILES [?]:
Cc1cc(c2c(c1)oc(c(c2=O)OCC(=O)Nc3cccc(c3)Cl)c4ccc(cc4)OC)C
InChi [?]:
InChI=1/C26H22ClNO5/c1-15-11-16(2)23-21(12-15)33-25(17-7-9-20(31-3)10-8-17)26(24(23)30)32-14-22(29)28-19-6-4-5-18(27)13-19/h4-13H,14H2,1-3H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,33,32,20,21,19,26,30,27,29,3,7,23,14,2,4,25,22,18,28,6,15,5,11,9,10,24,17,16,12,31,13,8/E:(7,8)(9,10)/rA:33nCCCCCCCOCCCOOCCONCCCCCCClCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s9;s25;d26;s27;d28;d25s29;s28;s31;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H22ClNO5
All Atoms:55
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.0543
Area:688.702
Solvation:-6.16325
Coulombic:-54.3944
Bond Count [?]
All:36
Single:24
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:463.909
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.02
LogP (Chemaxon):5.65

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Descriptor Annotations

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