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Chemical ID: 5747487
Chemical ID:
5747487
Name [?]:
2-(4-phenylthiazol-2-yl)sulfanyl-N-(2,3,4-trifluorophenyl)-acetamide
SMILES [?]:
c1ccc(cc1)c2csc(n2)SCC(=O)Nc3ccc(c(c3F)F)F
InChi [?]:
InChI=1/C17H11F3N2OS2/c18-11-6-7-12(16(20)15(11)19)21-14(23)9-25-17-22-13(8-24-17)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,19,18,8,13,4,20,17,7,14,21,22,10,25,24,23,16,11,15,9,12/E:(2,3)(4,5)/rA:25nCCCCCCCCSCNSCCONCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11F3N2OS2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.93236 |
Area: | 558.51 |
Solvation: | -5.03039 |
Coulombic: | -38.2695 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 380.409 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.19 |
LogP (Chemaxon): | 4.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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