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Chemical ID: 5512750
Chemical ID:
5512750
Name [?]:
N-(3,4-dimethylphenyl)-2-[4-(4-fluorophenyl)thiazol-2-yl]sulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)CSc2nc(cs2)c3ccc(cc3)F
InChi [?]:
InChI=1/C19H17FN2OS2/c1-12-3-8-16(9-13(12)2)21-18(23)11-25-19-22-17(10-24-19)14-4-6-15(20)7-5-14/h3-10H,11H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,8,3,20,24,21,23,4,6,17,12,2,7,19,22,5,16,10,14,25,9,15,11,18,13/E:(4,5)(6,7)/rA:25nCCCCCCCCNCOCSCNCCSCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17FN2OS2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6686 |
Area: | 585.513 |
Solvation: | -3.96918 |
Coulombic: | -30.8379 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 372.482 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.74 |
LogP (Chemaxon): | 5.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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