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Chemical ID: 7262944
Chemical ID:
7262944
Name [?]:
N-[4-(3-chlorophenyl)-5-methyl-thiazol-2-yl]-2-(2-methoxyphenoxy)-acetamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)COc2ccccc2OC)c3cccc(c3)Cl
InChi [?]:
InChI=1/C19H17ClN2O3S/c1-12-18(13-6-5-7-14(20)10-13)22-19(26-12)21-17(23)11-25-16-9-4-3-8-15(16)24-2/h3-10H,11H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,19,15,14,22,21,23,16,13,25,10,2,20,24,17,12,8,3,5,26,7,4,9,18,11,6/rA:26nCCCNCSNCOCOCCCCCCOCCCCCCCCl/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s3;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2O3S |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.52507 |
Area: | 610.491 |
Solvation: | -6.73721 |
Coulombic: | -41.7222 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 388.869 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.63 |
LogP (Chemaxon): | 4.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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