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Chemical ID: 6846979
Chemical ID:
6846979
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-2-[6,8-dimethyl-4-oxo-2-(p-tolyl)chromen-3-yl]oxy-acetamide
SMILES [?]:
Cc1ccc(cc1)c2c(c(=O)c3cc(cc(c3o2)C)C)OCC(=O)Nc4ccc(c(c4)Cl)OC
InChi [?]:
InChI=1/C27H24ClNO5/c1-15-5-7-18(8-6-15)26-27(24(31)20-12-16(2)11-17(3)25(20)34-26)33-14-23(30)29-19-9-10-22(32-4)21(28)13-19/h5-13H,14H2,1-4H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,20,19,34,3,7,4,6,27,28,15,13,31,22,2,14,16,5,26,12,30,29,23,10,17,8,9,32,25,24,11,33,21,18/E:(5,6)(7,8)/rA:34nCCCCCCCCCCOCCCCCCOCCOCCONCCCCCCClOC/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;s30;s29;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H24ClNO5 |
All Atoms: | 58 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5513 |
Area: | 711.742 |
Solvation: | -6.24227 |
Coulombic: | -54.4344 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 477.936 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.25 |
LogP (Chemaxon): | 6.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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