ChemDB: Chemical Search
Download
Chemical ID: 7731076
Chemical ID:
7731076
Name [?]:
None
SMILES [?]:
CCCCCNC(=O)C(=O)c1cn(c2c1cccc2)CC(=O)N3CCCC3
InChi [?]:
InChI=1/C21H27N3O3/c1-2-3-6-11-22-21(27)20(26)17-14-24(18-10-5-4-9-16(17)18)15-19(25)23-12-7-8-13-23/h4-5,9-10,14H,2-3,6-8,11-13,15H2,1H3,(H,22,27)
InChi Info:
AuxInfo=1/1/N:1,2,3,17,18,4,25,26,16,19,5,24,27,12,20,15,11,14,21,9,7,6,23,13,22,10,8/E:(7,8)(12,13)/rA:27nCCCCCNCOCOCCNCCCCCCCCONCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s9;d11;s12;s13;s11s14;d15;s16;d17;d14s18;s13;s20;d21;s21;s23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27N3O3 |
All Atoms: | 54 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.1506 |
Area: | 628.155 |
Solvation: | -3.55324 |
Coulombic: | -55.8297 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.16 |
LogP (Chemaxon): | None |
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 |
---|