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Chemical ID: 6847431
Chemical ID:
6847431
Name [?]:
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl-4-oxo-chromen-3-yl]oxy-acetamide
SMILES [?]:
Cc1cc(c2c(c1)oc(c(c2=O)OCC(=O)Nc3ccc(cc3)OC)c4ccc(cc4)OC)C
InChi [?]:
InChI=1/C27H25NO6/c1-16-13-17(2)24-22(14-16)34-26(18-5-9-20(31-3)10-6-18)27(25(24)30)33-15-23(29)28-19-7-11-21(32-4)12-8-19/h5-14H,15H2,1-4H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,34,33,25,27,31,19,23,28,30,20,22,3,7,14,2,4,26,18,29,21,6,15,5,11,9,10,17,16,12,32,24,13,8/E:(5,6)(7,8)(9,10)(11,12)/rA:34nCCCCCCCOCCCOOCCONCCCCCCOCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s9;s26;d27;s28;d29;d26s30;s29;s32;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H25NO6 |
All Atoms: | 59 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.91286 |
Area: | 691.439 |
Solvation: | -7.37312 |
Coulombic: | -60.5946 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 459.491 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.31 |
LogP (Chemaxon): | 4.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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