Chemical ID: 6847367

Cc1cc(c2c(c1)oc(c(c2=O)OCC(=O)Nc3cccc(c3C)Cl)c4ccc(c(c4)OC)OC)C
Chemical ID:
6847367
Name [?]:
N-(3-chloro-2-methyl-phenyl)-2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxo-chromen-3-yl]oxy-acetamide
SMILES [?]:
Cc1cc(c2c(c1)oc(c(c2=O)OCC(=O)Nc3cccc(c3C)Cl)c4ccc(c(c4)OC)OC)C
InChi [?]:
InChI=1/C28H26ClNO6/c1-15-11-16(2)25-23(12-15)36-27(18-9-10-21(33-4)22(13-18)34-5)28(26(25)32)35-14-24(31)30-20-8-6-7-19(29)17(20)3/h6-13H,14H2,1-5H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,36,24,35,33,20,21,19,27,28,3,7,31,14,2,4,23,26,22,18,29,30,6,15,5,11,9,10,25,17,16,12,34,32,13,8/rA:36nCCCCCCCOCCCOOCCONCCCCCCCClCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s22;s9;s26;d27;s28;d29;d26s30;s30;s32;s29;s34;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H26ClNO6
All Atoms:62
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:10.5583
Area:739.479
Solvation:-7.92864
Coulombic:-60.8609
Bond Count [?]
All:39
Single:27
Double:12
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:507.962
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.89
LogP (Chemaxon):5.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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