Chemical ID: 5383980

CC(C)c1ccc(cc1)NC(=O)CSc2nc(cs2)c3ccc(cc3)Cl
Chemical ID:
5383980
Name [?]:
2-[4-(4-chlorophenyl)thiazol-2-yl]sulfanyl-N-(4-isopropylphenyl)-acetamide
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)CSc2nc(cs2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H19ClN2OS2/c1-13(2)14-5-9-17(10-6-14)22-19(24)12-26-20-23-18(11-25-20)15-3-7-16(21)8-4-15/h3-11,13H,12H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,21,25,5,9,22,24,6,8,18,13,2,4,20,23,7,17,11,15,26,10,16,12,19,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:26nCCCCCCCCCNCOCSCNCCSCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19ClN2OS2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.9816
Area:641.054
Solvation:-3.04473
Coulombic:-28.9067
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:402.962
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.73
LogP (Chemaxon):6.52

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