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Chemical ID: 4336556
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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