ChemDB: Chemical Search
Download
Chemical ID: 4544483
Chemical ID:
4544483
Name [?]:
N-[[3-methoxy-4-(1-naphthylmethoxy)phenyl]methyleneamino]-2-phenoxy-propanamide
SMILES [?]:
CC(C(=O)NN=Cc1ccc(c(c1)OC)OCc2cccc3c2cccc3)Oc4ccccc4
InChi [?]:
InChI=1/C28H26N2O4/c1-20(34-24-12-4-3-5-13-24)28(31)30-29-18-21-15-16-26(27(17-21)32-2)33-19-23-11-8-10-22-9-6-7-14-25(22)23/h3-18,20H,19H2,1-2H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,15,32,31,33,26,25,20,27,21,19,30,34,24,9,10,13,7,17,2,8,22,18,29,23,11,12,3,6,5,4,14,16,28/E:(4,5)(12,13)/rA:34cCCCONNCCCCCCCOCOCCCCCCCCCCCOCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;s17;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;s2;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H26N2O4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.39806 |
Area: | 723.2 |
Solvation: | -8.68195 |
Coulombic: | -43.3634 |
Bond Count [?]
All: | 37 |
Single: | 24 |
Double: | 13 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 454.517 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.74 |
LogP (Chemaxon): | 5.83 |
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 |
---|