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Chemical ID: 6217644
Chemical ID:
6217644
Name [?]:
N-[4-(4-chlorophenyl)thiazol-2-yl]cyclohexanecarboxamide
SMILES [?]:
c1cc(ccc1c2csc(n2)NC(=O)C3CCCCC3)Cl
InChi [?]:
InChI=1/C16H17ClN2OS/c17-13-8-6-11(7-9-13)14-10-21-16(18-14)19-15(20)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:18,17,19,16,20,1,5,2,4,8,6,15,3,7,13,10,21,11,12,14,9/E:(2,3)(4,5)(6,7)(8,9)/rA:21nCCCCCCCCSCNNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;s16;s17;s18;s15s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17ClN2OS |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7505 |
Area: | 518.734 |
Solvation: | -2.21789 |
Coulombic: | -28.2683 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 320.838 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.65 |
LogP (Chemaxon): | 5.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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