ChemDB: Chemical Search
Download
Chemical ID: 7014696
Chemical ID:
7014696
Name [?]:
None
SMILES [?]:
CC1(CC(CC(N1)(C)C)NC(=O)Cc2coc3c2c4ccccc4cc3)C
InChi [?]:
InChI=1/C23H28N2O2/c1-22(2)12-17(13-23(3,4)25-22)24-20(26)11-16-14-27-19-10-9-15-7-5-6-8-18(15)21(16)19/h5-10,14,17,25H,11-13H2,1-4H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,27,8,9,22,21,23,20,25,26,13,3,5,15,24,14,4,19,17,11,18,2,6,10,7,12,16/E:(1,2,3,4)(12,13)(22,23)/rA:27nCCCCCCNCCNCOCCCOCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s6;s4;s10;d11;s11;s13;d14;s15;s16;s14s17;d18;s19;d20;s21;d22;s19s23;d24;d17s25;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H28N2O2 |
All Atoms: | 55 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5788 |
Area: | 571.491 |
Solvation: | -3.70849 |
Coulombic: | -36.8101 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 364.481 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.38 |
LogP (Chemaxon): | 3.24 |
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 |
---|