ChemDB: Chemical Search
Download
Chemical ID: 4294086
Chemical ID:
4294086
Name [?]:
N-(4-methoxy-2-nitro-phenyl)-2,3,4,5,6-pentamethyl-benzamide
SMILES [?]:
Cc1c(c(c(c(c1C)C)C(=O)Nc2ccc(cc2[N+](=O)[O-])OC)C)C
InChi [?]:
InChI=1/C19H22N2O4/c1-10-11(2)13(4)18(14(5)12(10)3)19(22)20-16-8-7-15(25-6)9-17(16)21(23)24/h7-9H,1-6H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,8,25,9,24,23,15,14,17,2,7,3,6,4,16,13,18,5,10,12,19,11,20,21,22/E:(2,3)(4,5)(11,12)(13,14)(23,24)/CRV:21.5/rA:25nCCCCCCCCCCONCCCCCCN+OO-OCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s16;s22;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.37179 |
Area: | 535.093 |
Solvation: | -7.00555 |
Coulombic: | -41.6508 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 342.389 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.51 |
LogP (Chemaxon): | 5.14 |
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 |
---|