Chemical ID: 6379813

c1ccc2c(c1)cccc2c3csc(n3)NC(=O)C(Cl)(Cl)Cl
Chemical ID:
6379813
Name [?]:
2,2,2-trichloro-N-[4-(1-naphthyl)thiazol-2-yl]-acetamide
SMILES [?]:
c1ccc2c(c1)cccc2c3csc(n3)NC(=O)C(Cl)(Cl)Cl
InChi [?]:
InChI=1/C15H9Cl3N2OS/c16-15(17,18)13(21)20-14-19-12(8-22-14)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,12,5,4,10,11,17,14,19,20,21,22,15,16,18,13/E:(16,17,18)/rA:22nCCCCCCCCCCCCSCNNCOCClClCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9Cl3N2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.4841
Area:537.537
Solvation:-1.95432
Coulombic:-32.7978
Bond Count [?]
All:24
Single:16
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:371.669
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.49
LogP (Chemaxon):5.39

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