ChemDB: Chemical Search
Download
Chemical ID: 6645609
Chemical ID:
6645609
Name [?]:
N-[(4-benzyloxy-3-methoxy-phenyl)methyleneamino]-2-(4-butylphenoxy)-acetamide
SMILES [?]:
CCCCc1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)OCc3ccccc3
InChi [?]:
InChI=1/C27H30N2O4/c1-3-4-8-21-11-14-24(15-12-21)32-20-27(30)29-28-18-23-13-16-25(26(17-23)31-2)33-19-22-9-6-5-7-10-22/h5-7,9-18H,3-4,8,19-20H2,1-2H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,25,2,3,31,30,32,4,29,33,6,10,19,7,9,20,23,17,27,12,5,28,18,8,21,22,13,16,15,14,24,11,26/E:(6,7)(9,10)(11,12)(14,15)/rA:33nCCCCCCCCCCOCCONNCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H30N2O4 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.4765 |
Area: | 752.753 |
Solvation: | -9.34232 |
Coulombic: | -41.8403 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 13 |
Chiral: | 1 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 446.538 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.99 |
LogP (Chemaxon): | 5.94 |
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 |
---|