ChemDB: Chemical Search
Download
Chemical ID: 7475561
Chemical ID:
7475561
Name [?]:
N-cyclohexyl-2-[(2,2-diphenylacetyl)-methyl-amino]-benzamide
SMILES [?]:
CN(c1ccccc1C(=O)NC2CCCCC2)C(=O)C(c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C28H30N2O2/c1-30(25-20-12-11-19-24(25)27(31)29-23-17-9-4-10-18-23)28(32)26(21-13-5-2-6-14-21)22-15-7-3-8-16-22/h2-3,5-8,11-16,19-20,23,26H,4,9-10,17-18H2,1H3,(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,24,30,15,23,25,29,31,14,16,6,5,22,26,28,32,13,17,7,4,21,27,12,8,3,20,9,18,11,2,10,19/E:(2,3)(5,6,7,8)(9,10)(13,14,15,16)(17,18)(21,22)/rA:32nCNCCCCCCCONCCCCCCCOCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s2;d18;s18;s20;s21;d22;s23;d24;d21s25;s20;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H30N2O2 |
All Atoms: | 62 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1987 |
Area: | 616.517 |
Solvation: | -3.21427 |
Coulombic: | -41.9792 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 426.55 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.85 |
LogP (Chemaxon): | 5.25 |
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 |
---|