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Chemical ID: 6847367
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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