ChemDB: Chemical Search
Download
Chemical ID: 6649243
Chemical ID:
6649243
Name [?]:
N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-3-(4-phenylphenyl)-prop-2-enamide
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)C=CC(=O)Nc3ccc4c(c3)OCCO4
InChi [?]:
InChI=1/C23H19NO3/c25-23(24-20-11-12-21-22(16-20)27-15-14-26-21)13-8-17-6-9-19(10-7-17)18-4-2-1-3-5-18/h1-13,16H,14-15H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,11,13,8,12,19,20,14,26,25,23,10,4,7,18,21,22,15,17,16,27,24/E:(2,3)(4,5)(6,7)(9,10)/rA:27nCCCCCCCCCCCCCCCONCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;w13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s24;s25;s21s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H19NO3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0681 |
Area: | 569.508 |
Solvation: | -4.1696 |
Coulombic: | -39.6507 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.402 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.82 |
LogP (Chemaxon): | 4.69 |
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 |
---|