Chemical ID: 7447402

c1ccc(cc1)N2CCN(CC2)C(=O)NC(=O)C34CC5CC(C3)CC(C5)C4
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

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Descriptor Annotations

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