Chemical ID: 6158995

CCc1c(nc(s1)NC(=O)COc2ccc(cc2)Cl)c3ccccc3
Chemical ID:
6158995
Name [?]:
2-(4-chlorophenoxy)-N-(5-ethyl-4-phenyl-thiazol-2-yl)-acetamide
SMILES [?]:
CCc1c(nc(s1)NC(=O)COc2ccc(cc2)Cl)c3ccccc3
InChi [?]:
InChI=1/C19H17ClN2O2S/c1-2-16-18(13-6-4-3-5-7-13)22-19(25-16)21-17(23)12-24-15-10-8-14(20)9-11-15/h3-11H,2,12H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,23,22,24,21,25,15,17,14,18,11,20,16,13,3,9,4,6,19,8,5,10,12,7/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCCCNCSNCOCOCCCCCCClCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s4;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClN2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.86339
Area:593.73
Solvation:-4.97987
Coulombic:-35.2783
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:372.869
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.24
LogP (Chemaxon):5.2

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Descriptor Annotations

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