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Chemical ID: 5383980
Chemical ID:
5383980
Name [?]:
2-[4-(4-chlorophenyl)thiazol-2-yl]sulfanyl-N-(4-isopropylphenyl)-acetamide
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)CSc2nc(cs2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H19ClN2OS2/c1-13(2)14-5-9-17(10-6-14)22-19(24)12-26-20-23-18(11-25-20)15-3-7-16(21)8-4-15/h3-11,13H,12H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,21,25,5,9,22,24,6,8,18,13,2,4,20,23,7,17,11,15,26,10,16,12,19,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:26nCCCCCCCCCNCOCSCNCCSCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19ClN2OS2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9816 |
Area: | 641.054 |
Solvation: | -3.04473 |
Coulombic: | -28.9067 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 402.962 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.73 |
LogP (Chemaxon): | 6.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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