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Chemical ID: 5547489

c1ccc(cc1)CC(C(=O)NC(c2ccccc2)c3ccccc3)NC(=O)c4ccccc4

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.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value