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Chemical ID: 6158995
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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