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Chemical ID: 5543357
Chemical ID:
5543357
Name [?]:
2-(2-chlorophenoxy)-N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
COc1ccc(c(c1)c2csc(n2)NC(=O)COc3ccccc3Cl)OC
InChi [?]:
InChI=1/C19H17ClN2O4S/c1-24-12-7-8-16(25-2)13(9-12)15-11-27-19(21-15)22-18(23)10-26-17-6-4-3-5-14(17)20/h3-9,11H,10H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,27,22,21,23,20,4,5,8,17,10,3,7,24,9,6,19,15,12,25,13,14,16,2,26,18,11/rA:27nCOCCCCCCCCSCNNCOCOCCCCCCClOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;s6;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2O4S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.64467 |
Area: | 619.781 |
Solvation: | -7.84985 |
Coulombic: | -47.0567 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 404.868 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.96 |
LogP (Chemaxon): | 4.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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