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Chemical ID: 6851639
Chemical ID:
6851639
Name [?]:
N-[4-(2,5-dimethylphenyl)thiazol-2-yl]cyclohexanecarboxamide
SMILES [?]:
Cc1ccc(c(c1)c2csc(n2)NC(=O)C3CCCCC3)C
InChi [?]:
InChI=1/C18H22N2OS/c1-12-8-9-13(2)15(10-12)16-11-22-18(19-16)20-17(21)14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,19,18,20,17,21,3,4,7,9,2,5,16,6,8,14,11,12,13,15,10/E:(4,5)(6,7)/rA:22nCCCCCCCCCSCNNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;s18;s19;s16s20;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N2OS |
All Atoms: | 44 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7724 |
Area: | 517.773 |
Solvation: | -2.17191 |
Coulombic: | -27.87 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 314.446 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.9 |
LogP (Chemaxon): | 5.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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