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Chemical ID: 5403558
Chemical ID:
5403558
Name [?]:
2-[4-(4-bromophenyl)thiazol-2-yl]sulfanyl-N-(2,3-dimethylphenyl)-acetamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)CSc2nc(cs2)c3ccc(cc3)Br
InChi [?]:
InChI=1/C19H17BrN2OS2/c1-12-4-3-5-16(13(12)2)21-18(23)11-25-19-22-17(10-24-19)14-6-8-15(20)9-7-14/h3-10H,11H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,8,4,3,5,20,24,21,23,17,12,2,7,19,22,6,16,10,14,25,9,15,11,18,13/E:(6,7)(8,9)/rA:25nCCCCCCCCNCOCSCNCCSCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17BrN2OS2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0992 |
Area: | 603.964 |
Solvation: | -2.99985 |
Coulombic: | -27.9198 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 433.387 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.17 |
LogP (Chemaxon): | 5.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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