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Chemical ID: 5379345
Chemical ID:
5379345
Name [?]:
N-(4-acetylphenyl)-2-(4-phenylthiazol-2-yl)sulfanyl-acetamide
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)CSc2nc(cs2)c3ccccc3
InChi [?]:
InChI=1/C19H16N2O2S2/c1-13(22)14-7-9-16(10-8-14)20-18(23)12-25-19-21-17(11-24-19)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,21,25,5,9,6,8,18,13,2,4,20,7,17,11,15,10,16,3,12,19,14/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCOCCCCCCNCOCSCNCCSCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O2S2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8262 |
Area: | 596.623 |
Solvation: | -4.08941 |
Coulombic: | -34.9398 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 368.475 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.55 |
LogP (Chemaxon): | 4.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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