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Chemical ID: 7116985
Chemical ID:
7116985
Name [?]:
2-chloro-N-[5-[(4-ethylphenyl)methyl]thiazol-2-yl]-acetamide
SMILES [?]:
CCc1ccc(cc1)Cc2cnc(s2)NC(=O)CCl
InChi [?]:
InChI=1/C14H15ClN2OS/c1-2-10-3-5-11(6-4-10)7-12-9-16-14(19-12)17-13(18)8-15/h3-6,9H,2,7-8H2,1H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,5,7,9,18,11,3,6,10,16,13,19,12,15,17,14/E:(3,4)(5,6)/rA:19nCCCCCCCCCCCNCSNCOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s10s13;s13;s15;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15ClN2OS |
All Atoms: | 34 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.84965 |
Area: | 501.35 |
Solvation: | -3.6841 |
Coulombic: | -25.6832 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 294.8 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.37 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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