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Chemical ID: 5907550

Cc1cccc(c1)CC(=O)N2CCN(CC2)c3ccc(cc3)NC(=O)C(c4ccccc4)c5ccccc5

Chemical ID:

5907550

Name [?]:

N-[4-[4-[2-(m-tolyl)acetyl]piperazin-1-yl]phenyl]-2,2-diphenyl-acetamide

SMILES [?]:

Cc1cccc(c1)CC(=O)N2CCN(CC2)c3ccc(cc3)NC(=O)C(c4ccccc4)c5ccccc5

InChi [?]:

InChI=1/C33H33N3O2/c1-25-9-8-10-26(23-25)24-31(37)36-21-19-35(20-22-36)30-17-15-29(16-18-30)34-33(38)32(27-11-4-2-5-12-27)28-13-6-3-7-14-28/h2-18,23,32H,19-22,24H2,1H3,(H,34,38)

InChi Info:

AuxInfo=1/1/N:1,30,36,29,31,35,37,4,3,5,28,32,34,38,19,21,18,22,13,15,12,16,7,8,2,6,27,33,20,17,9,26,24,23,14,11,10,25/E:(2,3)(4,5,6,7)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(27,28)/rA:38nCCCCCCCCCONCCNCCCCCCCCNCOCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s19;d20;d17s21;s20;s23;d24;s24;s26;s27;d28;s29;d30;d27s31;s26;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₃H₃₃N₃O₂
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	0

ZAP Information [?]

Total:	14.538
Area:	780.035
Solvation:	-4.96291
Coulombic:	-46.2444

Bond Count [?]

All:	42
Single:	28
Double:	14
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	503.634
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.08
LogP (Chemaxon):	6.68

Name Annotations

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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