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Chemical ID: 5411172
Chemical ID:
5411172
Name [?]:
2-[4-(4-chlorophenyl)thiazol-2-yl]sulfanyl-N-(2-ethoxyphenyl)-acetamide
SMILES [?]:
CCOc1ccccc1NC(=O)CSc2nc(cs2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H17ClN2O2S2/c1-2-24-17-6-4-3-5-15(17)21-18(23)12-26-19-22-16(11-25-19)13-7-9-14(20)10-8-13/h3-11H,2,12H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,21,25,22,24,18,13,20,23,9,17,4,11,15,26,10,16,12,3,19,14/E:(7,8)(9,10)/rA:26nCCOCCCCCCNCOCSCNCCSCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2O2S2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1083 |
Area: | 637.139 |
Solvation: | -3.82022 |
Coulombic: | -36.2687 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 404.935 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.67 |
LogP (Chemaxon): | 5.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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