Chemical ID: 6874906

CCCCc1ccc(cc1)NC(=O)COc2c(=O)c3cc(ccc3oc2c4ccc(cc4)Cl)C
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue