Chemical ID: 6846981

Cc1ccc(cc1)c2c(c(=O)c3cc(cc(c3o2)C)C)OCC(=O)Nc4ccccc4C(=O)OC
Chemical ID:
6846981
Name [?]:
methyl 2-[2-[6,8-dimethyl-4-oxo-2-(p-tolyl)chromen-3-yl]oxyacetyl]aminobenzoate
SMILES [?]:
Cc1ccc(cc1)c2c(c(=O)c3cc(cc(c3o2)C)C)OCC(=O)Nc4ccccc4C(=O)OC
InChi [?]:
InChI=1/C28H25NO6/c1-16-9-11-19(12-10-16)26-27(24(31)21-14-17(2)13-18(3)25(21)35-26)34-15-23(30)29-22-8-6-5-7-20(22)28(32)33-4/h5-14H,15H2,1-4H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,20,19,35,29,28,30,27,3,7,4,6,15,13,22,2,14,16,5,31,12,26,23,10,17,8,9,32,25,24,11,33,34,21,18/E:(9,10)(11,12)/rA:35nCCCCCCCCCCOCCCCCCOCCOCCONCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;s16;s14;s9;s21;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s31;d32;s32;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H25NO6
All Atoms:60
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:12.6834
Area:712.971
Solvation:-5.14083
Coulombic:-67.8065
Bond Count [?]
All:38
Single:25
Double:13
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:471.501
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:6.07
LogP (Chemaxon):6.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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