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Chemical ID: 5889690
Chemical ID:
5889690
Name [?]:
3-cyclohexyl-1-[4-(4-methyl-1-piperidyl)-3-(1-piperidylcarbonyl)phenyl]-urea
SMILES [?]:
CC1CCN(CC1)c2ccc(cc2C(=O)N3CCCCC3)NC(=O)NC4CCCCC4
InChi [?]:
InChI=1/C25H38N4O2/c1-19-12-16-28(17-13-19)23-11-10-21(27-25(31)26-20-8-4-2-5-9-20)18-22(23)24(30)29-14-6-3-7-15-29/h10-11,18-20H,2-9,12-17H2,1H3,(H2,26,27,31)
InChi Info:
AuxInfo=1/1/N:1,29,19,28,30,18,20,27,31,10,9,3,7,17,21,4,6,12,2,26,11,13,8,14,23,25,22,5,16,15,24/E:(4,5)(6,7)(8,9)(12,13)(14,15)(16,17)/rA:31nCCCCNCCCCCCCCCONCCCCCNCONCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;s18;s19;s16s20;s11;s22;d23;s23;s25;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H38N4O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9634 |
Area: | 662.539 |
Solvation: | -3.60012 |
Coulombic: | -58.3395 |
Bond Count [?]
All: | 34 |
Single: | 29 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 426.595 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.74 |
LogP (Chemaxon): | 4.12 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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