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Chemical ID: 5083185
Chemical ID:
5083185
Name [?]:
2-(2-chlorophenoxy)-N-[5-(m-tolylmethyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1cccc(c1)Cc2cnc(s2)NC(=O)COc3ccccc3Cl
InChi [?]:
InChI=1/C19H17ClN2O2S/c1-13-5-4-6-14(9-13)10-15-11-21-19(25-15)22-18(23)12-24-17-8-3-2-7-16(17)20/h2-9,11H,10,12H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,22,21,4,3,5,23,20,7,8,10,17,2,6,9,24,19,15,12,25,11,14,16,18,13/rA:25nCCCCCCCCCCNCSNCOCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.42033 |
Area: | 596.994 |
Solvation: | -5.50451 |
Coulombic: | -34.2785 |
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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