ChemDB: Chemical Search
Download
Chemical ID: 6473313
Chemical ID:
6473313
Name [?]:
3-phenyl-N-[phenyl-(4-phenylphenyl)-methyl]-propanamide
SMILES [?]:
c1ccc(cc1)CCC(=O)NC(c2ccccc2)c3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C28H25NO/c30-27(21-16-22-10-4-1-5-11-22)29-28(25-14-8-3-9-15-25)26-19-17-24(18-20-26)23-12-6-2-7-13-23/h1-15,17-20,28H,16,21H2,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,28,16,2,6,27,29,15,17,3,5,26,30,14,18,7,21,23,20,24,8,4,25,22,13,19,9,12,11,10/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(17,18)(19,20)/rA:30cCCCCCCCCCONCCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s12;s19;d20;s21;d22;d19s23;s22;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H25NO |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.5688 |
Area: | 660.154 |
Solvation: | -2.93509 |
Coulombic: | -27.0338 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 391.504 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.63 |
LogP (Chemaxon): | 6.76 |
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 |
---|