Chemical ID: 5388032

CC(=O)c1ccc(cc1)NC(=O)CSc2nc(cs2)c3ccc(cc3)Cl
Chemical ID:
5388032
Name [?]:
N-(4-acetylphenyl)-2-[4-(4-chlorophenyl)thiazol-2-yl]sulfanyl-acetamide
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)CSc2nc(cs2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H15ClN2O2S2/c1-12(23)13-4-8-16(9-5-13)21-18(24)11-26-19-22-17(10-25-19)14-2-6-15(20)7-3-14/h2-10H,11H2,1H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,21,25,5,9,22,24,6,8,18,13,2,4,20,23,7,17,11,15,26,10,16,3,12,19,14/E:(2,3)(4,5)(6,7)(8,9)/rA:26nCCOCCCCCCNCOCSCNCCSCCCCCCCl/rB:s1;d2;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:C19H15ClN2O2S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.6704
Area:631.348
Solvation:-4.1133
Coulombic:-34.9415
Bond Count [?]
All:28
Single:18
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:402.919
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.17
LogP (Chemaxon):4.63

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