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Chemical ID: 5039447
Chemical ID:
5039447
Name [?]:
[2-[2-(2,6-dioxo-3-piperidyl)-1-hydroxy-ethyl]-4,6-dimethyl-cyclohexylidene]aminourea
SMILES [?]:
CC1CC(C(=NNC(=O)N)C(C1)C(CC2CCC(=O)NC2=O)O)C
InChi [?]:
InChI=1/C16H26N4O4/c1-8-5-9(2)14(19-20-16(17)24)11(6-8)12(21)7-10-3-4-13(22)18-15(10)23/h8-12,21H,3-7H2,1-2H3,(H3,17,20,24)(H,18,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,16,17,3,12,14,2,4,15,11,13,18,5,21,8,10,20,6,7,23,19,22,9/rA:24cCCCCCNNCONCCCCCCCCONCOOC/rB:s1;s2;s3;s4;w5;s6;s7;d8;s8;s5;s2s11;s11;s13;s14;s15;s16;s17;d18;s18;s15s20;d21;s13;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H26N4O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 8.5736 |
Area: | 535.572 |
Solvation: | -4.8157 |
Coulombic: | -80.8854 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 338.402 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 8 |
XLogP: | 0.01 |
LogP (Chemaxon): | 0.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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