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Chemical ID: 6665703
Chemical ID:
6665703
Name [?]:
1-cyclohexyl-3-[5-(cyclohexyl-methyl-carbamoyl)amino-2-methyl-phenyl]-1-methyl-urea
SMILES [?]:
Cc1ccc(cc1NC(=O)N(C)C2CCCCC2)NC(=O)N(C)C3CCCCC3
InChi [?]:
InChI=1/C23H36N4O2/c1-17-14-15-18(24-22(28)26(2)19-10-6-4-7-11-19)16-21(17)25-23(29)27(3)20-12-8-5-9-13-20/h14-16,19-20H,4-13H2,1-3H3,(H,24,28)(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,23,12,27,16,26,28,15,17,25,29,14,18,3,4,6,2,5,24,13,7,20,9,19,8,22,11,21,10/E:(6,7)(8,9)(10,11)(12,13)/rA:29nCCCCCCCNCONCCCCCCCNCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s11;s13;s14;s15;s16;s13s17;s5;s19;d20;s20;s22;s22;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H36N4O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.5051 |
Area: | 646.534 |
Solvation: | -2.65829 |
Coulombic: | -61.2614 |
Bond Count [?]
All: | 31 |
Single: | 26 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 400.558 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.98 |
LogP (Chemaxon): | 4.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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