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Chemical ID: 5902064
Chemical ID:
5902064
Name [?]:
3-[4-(4-hexanoylpiperazin-1-yl)phenyl]-1,1-dimethyl-urea
SMILES [?]:
CCCCCC(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)N(C)C
InChi [?]:
InChI=1/C19H30N4O2/c1-4-5-6-7-18(24)23-14-12-22(13-15-23)17-10-8-16(9-11-17)20-19(25)21(2)3/h8-11H,4-7,12-15H2,1-3H3,(H,20,25)
InChi Info:
AuxInfo=1/1/N:1,24,25,2,3,4,5,16,18,15,19,10,12,9,13,17,14,6,21,20,23,11,8,7,22/E:(2,3)(8,9)(10,11)(12,13)(14,15)/rA:25nCCCCCCONCCNCCCCCCCCNCONCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H30N4O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1834 |
Area: | 598.141 |
Solvation: | -3.77008 |
Coulombic: | -51.8353 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 346.467 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.66 |
LogP (Chemaxon): | 2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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