Chemical ID: 6218069

Cc1ccc(c(c1)c2csc(n2)NC(=O)COc3ccc(cc3)Cl)C
Chemical ID:
6218069
Name [?]:
2-(4-chlorophenoxy)-N-[4-(2,5-dimethylphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1ccc(c(c1)c2csc(n2)NC(=O)COc3ccc(cc3)Cl)C
InChi [?]:
InChI=1/C19H17ClN2O2S/c1-12-3-4-13(2)16(9-12)17-11-25-19(21-17)22-18(23)10-24-15-7-5-14(20)6-8-15/h3-9,11H,10H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,3,4,20,22,19,23,7,16,9,2,5,21,18,6,8,14,11,24,12,13,15,17,10/E:(5,6)(7,8)/rA:25nCCCCCCCCCSCNNCOCOCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClN2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.2289
Area:591.355
Solvation:-4.55494
Coulombic:-35.0335
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:372.869
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.01
LogP (Chemaxon):5.67

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