Chemical ID: 5411172

CCOc1ccccc1NC(=O)CSc2nc(cs2)c3ccc(cc3)Cl
Chemical ID:
5411172
Name [?]:
2-[4-(4-chlorophenyl)thiazol-2-yl]sulfanyl-N-(2-ethoxyphenyl)-acetamide
SMILES [?]:
CCOc1ccccc1NC(=O)CSc2nc(cs2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H17ClN2O2S2/c1-2-24-17-6-4-3-5-15(17)21-18(23)12-26-19-22-16(11-25-19)13-7-9-14(20)10-8-13/h3-11H,2,12H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,21,25,22,24,18,13,20,23,9,17,4,11,15,26,10,16,12,3,19,14/E:(7,8)(9,10)/rA:26nCCOCCCCCCNCOCSCNCCSCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClN2O2S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.1083
Area:637.139
Solvation:-3.82022
Coulombic:-36.2687
Bond Count [?]
All:28
Single:19
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:404.935
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.67
LogP (Chemaxon):5.41

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