Chemical ID: 4336556

c1ccc(cc1)CNC(=O)c2ccc(cc2)CN3CCN(CC3)Cc4ccccc4
Chemical ID:
4336556
Name [?]:
N-benzyl-4-[(4-benzylpiperazin-1-yl)methyl]benzamide
SMILES [?]:
c1ccc(cc1)CNC(=O)c2ccc(cc2)CN3CCN(CC3)Cc4ccccc4
InChi [?]:
InChI=1/C26H29N3O/c30-26(27-19-22-7-3-1-4-8-22)25-13-11-24(12-14-25)21-29-17-15-28(16-18-29)20-23-9-5-2-6-10-23/h1-14H,15-21H2,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,28,2,6,27,29,3,5,26,30,13,15,12,16,20,22,19,23,7,24,17,4,25,14,11,9,8,21,18,10/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:30nCCCCCCCNCOCCCCCCCNCCNCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s18;s19;s20;s21;s18s22;s21;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29N3O
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.5352
Area:667.513
Solvation:-3.15264
Coulombic:-35.9468
Bond Count [?]
All:33
Single:23
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:399.528
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.24
LogP (Chemaxon):4.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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