Chemical ID: 6851639

Cc1ccc(c(c1)c2csc(n2)NC(=O)C3CCCCC3)C
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

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Descriptor Annotations

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