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Chemical ID: 6874906
Chemical ID:
6874906
Name [?]:
N-(4-butylphenyl)-2-[2-(4-chlorophenyl)-6-methyl-4-oxo-chromen-3-yl]oxy-acetamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)COc2c(=O)c3cc(ccc3oc2c4ccc(cc4)Cl)C
InChi [?]:
InChI=1/C28H26ClNO4/c1-3-4-5-19-7-13-22(14-8-19)30-25(31)17-33-28-26(32)23-16-18(2)6-15-24(23)34-27(28)20-9-11-21(29)12-10-20/h6-16H,3-5,17H2,1-2H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,34,2,3,4,22,6,10,28,32,29,31,7,9,23,20,14,21,5,27,30,8,19,24,12,17,26,16,33,11,13,18,15,25/E:(7,8)(9,10)(11,12)(13,14)/rA:34nCCCCCCCCCCNCOCOCCOCCCCCCOCCCCCCCClC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;d16s25;s26;s27;d28;s29;d30;d27s31;s30;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H26ClNO4 |
All Atoms: | 60 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.7443 |
Area: | 741.443 |
Solvation: | -4.79175 |
Coulombic: | -49.1966 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 475.963 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 7.71 |
LogP (Chemaxon): | 7.09 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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