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Chemical ID: 4344032
Chemical ID:
4344032
Name [?]:
N-[5-[(2,4-dichlorophenyl)methyl]thiazol-2-yl]cyclohexanecarboxamide
SMILES [?]:
c1cc(c(cc1Cl)Cl)Cc2cnc(s2)NC(=O)C3CCCCC3
InChi [?]:
InChI=1/C17H18Cl2N2OS/c18-13-7-6-12(15(19)9-13)8-14-10-20-17(23-14)21-16(22)11-4-2-1-3-5-11/h6-7,9-11H,1-5,8H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:21,20,22,19,23,2,1,9,5,11,18,3,6,10,4,16,13,7,8,12,15,17,14/E:(2,3)(4,5)/rA:23nCCCCCCClClCCCNCSNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s11;d12;s10s13;s13;s15;d16;s16;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18Cl2N2OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3703 |
Area: | 564.711 |
Solvation: | -2.74748 |
Coulombic: | -27.3207 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 369.309 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.39 |
LogP (Chemaxon): | 5.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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