Chemical ID: 5511026

c1cc(ccc1c2csc(n2)SCC(=O)Nc3ccc(cc3Cl)F)F
Chemical ID:
5511026
Name [?]:
N-(2-chloro-4-fluoro-phenyl)-2-[4-(4-fluorophenyl)thiazol-2-yl]sulfanyl-acetamide
SMILES [?]:
c1cc(ccc1c2csc(n2)SCC(=O)Nc3ccc(cc3Cl)F)F
InChi [?]:
InChI=1/C17H11ClF2N2OS2/c18-13-7-12(20)5-6-14(13)21-16(23)9-25-17-22-15(8-24-17)10-1-3-11(19)4-2-10/h1-8H,9H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,19,18,21,8,13,6,3,20,22,17,7,14,10,23,25,24,16,11,15,9,12/E:(1,2)(3,4)/rA:25nCCCCCCCCSCNSCCONCCCCCCClFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11ClF2N2OS2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.1128
Area:582.53
Solvation:-4.45043
Coulombic:-34.5089
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:396.864
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.65
LogP (Chemaxon):4.95

Name Annotations

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Descriptor Annotations

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