ChemDB: Chemical Search
Download
Chemical ID: 7037977
Chemical ID:
7037977
Name [?]:
N-[(3-ethoxy-4-methoxy-phenyl)-(4-methylbenzoyl)amino-methyl]-4-methyl-benzamide
SMILES [?]:
CCOc1cc(ccc1OC)C(NC(=O)c2ccc(cc2)C)NC(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C26H28N2O4/c1-5-32-23-16-21(14-15-22(23)31-4)24(27-25(29)19-10-6-17(2)7-11-19)28-26(30)20-12-8-18(3)9-13-20/h6-16,24H,5H2,1-4H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,22,32,11,2,18,20,28,30,17,21,27,31,7,8,5,19,29,16,26,6,9,4,12,14,24,13,23,15,25,10,3/E:(2,3)(6,7,8,9)(10,11,12,13)(17,18)(19,20)(25,26)(27,28)(29,30)/gE:(1,2)/rA:32nCCOCCCCCCOCCNCOCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s12;s23;d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28N2O4 |
All Atoms: | 60 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8986 |
Area: | 700.523 |
Solvation: | -6.6145 |
Coulombic: | -59.7248 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 432.512 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.45 |
LogP (Chemaxon): | 4.6 |
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 |
---|