ChemDB: Chemical Search
Download
Chemical ID: 4418531
Chemical ID:
4418531
Name [?]:
2-(3-ethyl-4-methyl-2-oxo-chromen-7-yl)oxy-N-(4-isopropoxyphenyl)-acetamide
SMILES [?]:
CCc1c(c2ccc(cc2oc1=O)OCC(=O)Nc3ccc(cc3)OC(C)C)C
InChi [?]:
InChI=1/C23H25NO5/c1-5-19-15(4)20-11-10-18(12-21(20)29-23(19)26)27-13-22(25)24-16-6-8-17(9-7-16)28-14(2)3/h6-12,14H,5,13H2,1-4H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,28,29,2,20,24,21,23,7,6,9,15,26,4,19,22,8,3,5,10,16,12,18,17,13,14,25,11/E:(2,3)(6,7)(8,9)/rA:29nCCCCCCCCCCOCOOCCONCCCCCCOCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;s3s11;d12;s8;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;s25;s26;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25NO5 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.58815 |
Area: | 636.137 |
Solvation: | -6.31528 |
Coulombic: | -53.8557 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 395.448 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.19 |
LogP (Chemaxon): | 4.78 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|