ChemDB: Chemical Search
Download
Chemical ID: 5282397
Chemical ID:
5282397
Name [?]:
None
SMILES [?]:
CCN(CC)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4cccc(c4)OCC
InChi [?]:
InChI=1/C26H30N2O4/c1-4-27(5-2)15-10-16-28-23(18-11-9-12-19(17-18)31-6-3)22-24(29)20-13-7-8-14-21(20)32-25(22)26(28)30/h7-9,11-14,17,23H,4-6,10,15-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,32,2,4,31,16,17,26,7,25,27,15,18,6,8,29,24,28,14,19,11,10,12,21,22,3,9,13,23,30,20/E:(1,2)(4,5)/rA:32cCCNCCCCCNCCCOCCCCCCOCCOCCCCCCOCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s9s21;d22;s10;s24;d25;s26;d27;d24s28;s28;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H30N2O4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.6857 |
Area: | 658.705 |
Solvation: | -4.7819 |
Coulombic: | -47.9702 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 434.527 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.81 |
LogP (Chemaxon): | 3.46 |
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 |
---|