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Chemical ID: 4598919
Chemical ID:
4598919
Name [?]:
2-chloro-N-[5-[(4-methoxyphenyl)methyl]thiazol-2-yl]-acetamide
SMILES [?]:
COc1ccc(cc1)Cc2cnc(s2)NC(=O)CCl
InChi [?]:
InChI=1/C13H13ClN2O2S/c1-18-10-4-2-9(3-5-10)6-11-8-15-13(19-11)16-12(17)7-14/h2-5,8H,6-7H2,1H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,5,7,4,8,9,18,11,6,3,10,16,13,19,12,15,17,2,14/E:(2,3)(4,5)/rA:19nCOCCCCCCCCCNCSNCOCCl/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: | C13H13ClN2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.27629 |
Area: | 494.95 |
Solvation: | -5.09747 |
Coulombic: | -31.7482 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 296.773 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.38 |
LogP (Chemaxon): | 2.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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