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Chemical ID: 5902671
Chemical ID:
5902671
Name [?]:
4-[4-(2-ethylhexanoylamino)phenyl]-N,N-bis[4-[4-(2-ethylhexanoylamino)phenyl]piperazin-6-yl]-piperazine-1-carboxamide
SMILES [?]:
CCCCC(CC)C(=O)Nc1ccc(cc1)N2CCN(CC2)C(=O)NCCCC
InChi [?]:
InChI=1/C23H38N4O2/c1-4-7-9-19(6-3)22(28)25-20-10-12-21(13-11-20)26-15-17-27(18-16-26)23(29)24-14-8-5-2/h10-13,19H,4-9,14-18H2,1-3H3,(H,24,29)(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,29,7,2,28,6,3,27,4,12,16,13,15,26,18,22,19,21,5,11,14,8,23,25,10,17,20,9,24/E:(10,11)(12,13)(15,16)(17,18)/rA:29cCCCCCCCCONCCCCCCNCCNCCCONCCCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;s18;s19;s20;s17s21;s20;d23;s23;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H38N4O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.8734 |
Area: | 698.023 |
Solvation: | -3.57714 |
Coulombic: | -58.2897 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 402.574 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.73 |
LogP (Chemaxon): | 4.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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