Chemical ID: 5365978

CN(C)c1ccc(cc1)NC(=O)CSc2nc(cs2)c3ccc(cc3)Cl
Chemical ID:
5365978
Name [?]:
2-[4-(4-chlorophenyl)thiazol-2-yl]sulfanyl-N-(4-dimethylaminophenyl)-acetamide
SMILES [?]:
CN(C)c1ccc(cc1)NC(=O)CSc2nc(cs2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H18ClN3OS2/c1-23(2)16-9-7-15(8-10-16)21-18(24)12-26-19-22-17(11-25-19)13-3-5-14(20)6-4-13/h3-11H,12H2,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,3,21,25,22,24,6,8,5,9,18,13,20,23,7,4,17,11,15,26,10,16,2,12,19,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:26nCNCCCCCCCNCOCSCNCCSCCCCCCCl/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:C19H18ClN3OS2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.3632
Area:637.58
Solvation:-3.57628
Coulombic:-33.7074
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:403.951
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.54
LogP (Chemaxon):5.59

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