Chemical ID: 4038477

C=CCN(CCN1CCN(CC1)C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC=C
Chemical ID:
4038477
Name [?]:
4-(2-diallylaminoethyl)-N,N-bis[4-(2-diallylaminoethyl)piperazin-6-yl]-piperazine-1-carboxamide
SMILES [?]:
C=CCN(CCN1CCN(CC1)C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC=C
InChi [?]:
InChI=1/C21H26F6N4O/c1-3-5-29(6-4-2)7-8-30-9-11-31(12-10-30)19(32)28-18-14-16(20(22,23)24)13-17(15-18)21(25,26)27/h3-4,13-15H,1-2,5-12H2,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,32,2,31,3,30,5,6,8,12,9,11,19,17,21,18,20,16,13,26,22,27,28,29,23,24,25,15,4,7,10,14/E:(1,2)(3,4)(5,6)(9,10)(11,12)(14,15)(16,17)(20,21)(22,23,24,25,26,27)/rA:32nCCCNCCNCCNCCCONCCCCCCCFFFCFFFCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s22;s22;s22;s18;s26;s26;s26;s4;s30;d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26F6N4O
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.3166
Area:668.46
Solvation:-4.39493
Coulombic:-78.9517
Bond Count [?]
All:33
Single:27
Double:6
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:464.448
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.63
LogP (Chemaxon):4.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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