Chemical ID: 4567108

CCc1ccc(cc1)NC(=O)COc2ccc3c(c(c(=O)oc3c2C)C)C
Chemical ID:
4567108
Name [?]:
N-(4-ethylphenyl)-2-(3,4,8-trimethyl-2-oxo-chromen-7-yl)oxy-acetamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)COc2ccc3c(c(c(=O)oc3c2C)C)C
InChi [?]:
InChI=1/C22H23NO4/c1-5-16-6-8-17(9-7-16)23-20(24)12-26-19-11-10-18-13(2)14(3)22(25)27-21(18)15(19)4/h6-11H,5,12H2,1-4H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,27,26,25,2,4,8,5,7,16,15,12,18,19,24,3,6,17,14,10,23,20,9,11,21,13,22/E:(6,7)(8,9)/rA:27nCCCCCCCCNCOCOCCCCCCCOOCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;s17;d18;s19;d20;s20;d17s22;d14s23;s24;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23NO4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.59741
Area:594.468
Solvation:-5.26429
Coulombic:-46.8487
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:365.422
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.05
LogP (Chemaxon):5.21

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