Chemical ID: 5526891

c1cc(ccc1c2csc(n2)SCC(=O)Nc3ccc(cc3)Cl)F
Chemical ID:
5526891
Name [?]:
N-(4-chlorophenyl)-2-[4-(4-fluorophenyl)thiazol-2-yl]sulfanyl-acetamide
SMILES [?]:
c1cc(ccc1c2csc(n2)SCC(=O)Nc3ccc(cc3)Cl)F
InChi [?]:
InChI=1/C17H12ClFN2OS2/c18-12-3-7-14(8-4-12)20-16(22)10-24-17-21-15(9-23-17)11-1-5-13(19)6-2-11/h1-9H,10H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,5,19,21,2,4,18,22,8,13,6,20,3,17,7,14,10,23,24,16,11,15,9,12/E:(1,2)(3,4)(5,6)(7,8)/rA:24nCCCCCCCCSCNSCCONCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12ClFN2OS2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.6178
Area:581.363
Solvation:-3.91627
Coulombic:-31.319
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:378.873
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.49
LogP (Chemaxon):5.46

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Descriptor Annotations

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