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Chemical ID: 5893590
Chemical ID:
5893590
Name [?]:
5-(cyclohexylcarbamoylamino)-2-(1-piperidyl)-N-sec-butyl-benzamide
SMILES [?]:
CCC(C)NC(=O)c1cc(ccc1N2CCCCC2)NC(=O)NC3CCCCC3
InChi [?]:
InChI=1/C23H36N4O2/c1-3-17(2)24-22(28)20-16-19(12-13-21(20)27-14-8-5-9-15-27)26-23(29)25-18-10-6-4-7-11-18/h12-13,16-18H,3-11,14-15H2,1-2H3,(H,24,28)(H2,25,26,29)
InChi Info:
AuxInfo=1/1/N:1,4,2,27,17,26,28,16,18,25,29,11,12,15,19,9,3,24,10,8,13,6,21,5,23,20,14,7,22/E:(6,7)(8,9)(10,11)(14,15)/rA:29cCCCCNCOCCCCCCNCCCCCNCONCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s17;s14s18;s10;s20;d21;s21;s23;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H36N4O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.8272 |
Area: | 650.854 |
Solvation: | -3.44413 |
Coulombic: | -62.4276 |
Bond Count [?]
All: | 31 |
Single: | 26 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 400.558 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 4.46 |
LogP (Chemaxon): | 4.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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