Chemical ID: 4598919

COc1ccc(cc1)Cc2cnc(s2)NC(=O)CCl
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

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