Chemical ID: 4600015

Cc1ccc(cc1)Cc2cnc(s2)NC(=O)CCl
Chemical ID:
4600015
Name [?]:
2-chloro-N-[5-(p-tolylmethyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1)Cc2cnc(s2)NC(=O)CCl
InChi [?]:
InChI=1/C13H13ClN2OS/c1-9-2-4-10(5-3-9)6-11-8-15-13(18-11)16-12(17)7-14/h2-5,8H,6-7H2,1H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,8,17,10,2,5,9,15,12,18,11,14,16,13/E:(2,3)(4,5)/rA:18nCCCCCCCCCCNCSNCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13ClN2OS
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.22743
Area:476.69
Solvation:-3.68981
Coulombic:-25.3261
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:280.774
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.9
LogP (Chemaxon):3.37

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