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Chemical ID: 7447402
Chemical ID:
7447402
Name [?]:
4-phenyl-N,N-bis(4-phenylpiperazin-6-yl)-piperazine-1-carboxamide
SMILES [?]:
c1ccc(cc1)N2CCN(CC2)C(=O)NC(=O)C34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C22H29N3O2/c26-20(22-13-16-10-17(14-22)12-18(11-16)15-22)23-21(27)25-8-6-24(7-9-25)19-4-2-1-3-5-19/h1-5,16-18H,6-15H2,(H,23,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,12,9,11,21,24,26,23,19,27,22,20,25,4,16,13,18,15,7,10,17,14/E:(2,3)(4,5)(6,7)(8,9)(10,11,12)(13,14,15)(16,17,18)/rA:27nCCCCCCNCCNCCCONCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;d16;s16;s18;s19;s20;s21;s18s22;s22;s24;s20s25;s18s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29N3O2 |
All Atoms: | 56 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.86649 |
Area: | 557.18 |
Solvation: | -4.06302 |
Coulombic: | -44.9252 |
Bond Count [?]
All: | 31 |
Single: | 26 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 367.485 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.71 |
LogP (Chemaxon): | 3.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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