ChemDB: Chemical Search
Download
Chemical ID: 4397415
Chemical ID:
4397415
Name [?]:
N-[(4-methoxyphenyl)-phenyl-methyl]-2,2-diphenyl-acetamide
SMILES [?]:
COc1ccc(cc1)C(c2ccccc2)NC(=O)C(c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C28H25NO2/c1-31-25-19-17-24(18-20-25)27(23-15-9-4-10-16-23)29-28(30)26(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-20,26-27H,1H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,23,29,13,22,24,28,30,12,14,21,25,27,31,11,15,5,7,4,8,20,26,10,6,3,19,9,17,16,18,2/E:(2,3)(5,6,7,8)(9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)/rA:31cCOCCCCCCCCCCCCCNCOCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s12;d13;d10s14;s9;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s19;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H25NO2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.0358 |
Area: | 651.47 |
Solvation: | -4.25091 |
Coulombic: | -34.3174 |
Bond Count [?]
All: | 34 |
Single: | 21 |
Double: | 13 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 407.504 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.11 |
LogP (Chemaxon): | 6.21 |
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 |
---|