Chemical ID: 5362170

c1ccnc(c1)NC(=O)CSc2nc(cs2)c3ccc(cc3)Cl
Chemical ID:
5362170
Name [?]:
2-[4-(4-chlorophenyl)thiazol-2-yl]sulfanyl-N-(2-pyridyl)acetamide
SMILES [?]:
c1ccnc(c1)NC(=O)CSc2nc(cs2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C16H12ClN3OS2/c17-12-6-4-11(5-7-12)13-9-22-16(19-13)23-10-15(21)20-14-3-1-2-8-18-14/h1-9H,10H2,(H,18,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,22,19,21,3,15,10,17,20,14,5,8,12,23,4,13,7,9,16,11/E:(4,5)(6,7)/rA:23nCCCNCCNCOCSCNCCSCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12ClN3OS2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.96142
Area:572.473
Solvation:-4.35041
Coulombic:-30.8177
Bond Count [?]
All:25
Single:16
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:361.871
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.8
LogP (Chemaxon):4.71

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