ChemDB: Chemical Search
Download
Chemical ID: 7047354
Chemical ID:
7047354
Name [?]:
N-benzyl-7-ethoxy-N-methyl-2-oxo-chromene-3-carboxamide
SMILES [?]:
CCOc1ccc2cc(c(=O)oc2c1)C(=O)N(C)Cc3ccccc3
InChi [?]:
InChI=1/C20H19NO4/c1-3-24-16-10-9-15-11-17(20(23)25-18(15)12-16)19(22)21(2)13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,23,22,24,21,25,6,5,8,14,19,20,7,4,9,13,15,10,17,16,11,3,12/E:(5,6)(7,8)/rA:25nCCOCCCCCCCOOCCCONCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s10;d7s12;d4s13;s9;d15;s15;s17;s17;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO4 |
All Atoms: | 44 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.62533 |
Area: | 542.3 |
Solvation: | -4.93218 |
Coulombic: | -43.5086 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 337.369 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.29 |
LogP (Chemaxon): | 3.12 |
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 |
---|