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Chemical ID: 6215749
Chemical ID:
6215749
Name [?]:
4-butoxy-N-[4-(4-chlorophenyl)thiazol-2-yl]-benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H19ClN2O2S/c1-2-3-12-25-17-10-6-15(7-11-17)19(24)23-20-22-18(13-26-20)14-4-8-16(21)9-5-14/h4-11,13H,2-3,12H2,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,3,21,25,8,10,22,24,7,11,4,18,20,9,23,6,17,12,15,26,16,14,13,5,19/E:(4,5)(6,7)(8,9)(10,11)/rA:26nCCCCOCCCCCCCONCNCCSCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19ClN2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.358 |
Area: | 632.854 |
Solvation: | -3.46334 |
Coulombic: | -37.272 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 386.896 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.72 |
LogP (Chemaxon): | 5.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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