Chemical ID: 6143896

Cc1ccc(cc1)OCC(=O)Nc2ncc(s2)Cc3cccc(c3)Cl
Chemical ID:
6143896
Name [?]:
N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-2-(4-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1)OCC(=O)Nc2ncc(s2)Cc3cccc(c3)Cl
InChi [?]:
InChI=1/C19H17ClN2O2S/c1-13-5-7-16(8-6-13)24-12-18(23)22-19-21-11-17(25-19)10-14-3-2-4-15(20)9-14/h2-9,11H,10,12H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,3,7,4,6,24,18,15,9,2,19,23,5,16,10,13,25,14,12,11,8,17/E:(5,6)(7,8)/rA:25nCCCCCCCOCCONCNCCSCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClN2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.81907
Area:602.717
Solvation:-5.24885
Coulombic:-34.3119
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:372.869
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.69
LogP (Chemaxon):4.8

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