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Chemical ID: 4323908
Chemical ID:
4323908
Name [?]:
2-(4-chlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]thiazol-2-yl]-acetamide
SMILES [?]:
COc1ccc(cc1)Cc2cnc(s2)NC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H17ClN2O3S/c1-24-15-6-2-13(3-7-15)10-17-11-21-19(26-17)22-18(23)12-25-16-8-4-14(20)5-9-16/h2-9,11H,10,12H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,7,22,24,4,8,21,25,9,11,18,6,23,3,20,10,16,13,26,12,15,17,2,19,14/E:(2,3)(4,5)(6,7)(8,9)/rA:26nCOCCCCCCCCCNCSNCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s10s13;s13;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.83103 |
Area: | 621.384 |
Solvation: | -6.70357 |
Coulombic: | -40.4163 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 388.869 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.16 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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