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Chemical ID: 6846981
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
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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