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Chemical ID: 5899253

c1ccc(cc1)CC2CCN(CC2)c3ccc(cc3C(=O)NCc4cccnc4)NC(=O)c5ccccc5

Chemical ID:

5899253

Name [?]:

5-benzamido-2-(4-benzyl-1-piperidyl)-N-(3-pyridylmethyl)benzamide

SMILES [?]:

c1ccc(cc1)CC2CCN(CC2)c3ccc(cc3C(=O)NCc4cccnc4)NC(=O)c5ccccc5

InChi [?]:

InChI=1/C32H32N4O2/c37-31(27-11-5-2-6-12-27)35-28-13-14-30(29(21-28)32(38)34-23-26-10-7-17-33-22-26)36-18-15-25(16-19-36)20-24-8-3-1-4-9-24/h1-14,17,21-22,25H,15-16,18-20,23H2,(H,34,38)(H,35,37)

InChi Info:

AuxInfo=1/1/N:1,36,2,6,35,37,26,3,5,25,34,38,16,15,9,13,27,10,12,7,18,29,23,4,8,24,33,17,19,14,31,20,28,22,30,11,32,21/E:(3,4)(5,6)(8,9)(11,12)(15,16)(18,19)/rA:38nCCCCCCCCCCNCCCCCCCCCONCCCCCNCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s17;s30;d31;s31;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₂H₃₂N₄O₂
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	0

ZAP Information [?]

Total:	14.8624
Area:	788.564
Solvation:	-4.85174
Coulombic:	-56.234

Bond Count [?]

All:	42
Single:	28
Double:	14
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	504.622
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.88
LogP (Chemaxon):	5.4

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