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Chemical ID: 5547489
Chemical ID:
5547489
Name [?]:
N-[1-(benzhydrylcarbamoyl)-2-phenyl-ethyl]benzamide
SMILES [?]:
c1ccc(cc1)CC(C(=O)NC(c2ccccc2)c3ccccc3)NC(=O)c4ccccc4
InChi [?]:
InChI=1/C29H26N2O2/c32-28(25-19-11-4-12-20-25)30-26(21-22-13-5-1-6-14-22)29(33)31-27(23-15-7-2-8-16-23)24-17-9-3-10-18-24/h1-20,26-27H,21H2,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,16,22,31,2,6,15,17,21,23,30,32,3,5,14,18,20,24,29,33,7,4,13,19,28,8,12,26,9,25,11,27,10/E:(2,3)(5,6)(7,8,9,10)(11,12)(13,14)(15,16,17,18)(19,20)(23,24)/rA:33cCCCCCCCCCONCCCCCCCCCCCCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s12;s19;d20;s21;d22;d19s23;s8;s25;d26;s26;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H26N2O2 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.3778 |
Area: | 673.915 |
Solvation: | -3.47004 |
Coulombic: | -49.5198 |
Bond Count [?]
All: | 36 |
Single: | 22 |
Double: | 14 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 434.529 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.85 |
LogP (Chemaxon): | 5.71 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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