Chemical ID: 7135023

c1ccc(c(c1)C=C2C(=O)N=C(S2)Nc3ccc(cc3)Cl)Cl
Chemical ID:
7135023
Name [?]:
2-(4-chlorophenyl)amino-5-[(2-chlorophenyl)methylene]thiazol-4-one
SMILES [?]:
c1ccc(c(c1)C=C2C(=O)N=C(S2)Nc3ccc(cc3)Cl)Cl
InChi [?]:
InChI=1/C16H10Cl2N2OS/c17-11-5-7-12(8-6-11)19-16-20-15(21)14(22-16)9-10-3-1-2-4-13(10)18/h1-9H,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,17,19,16,20,7,5,18,15,4,8,9,12,21,22,14,11,10,13/E:(5,6)(7,8)/rA:22nCCCCCCCCCONCSNCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;d11;s8s12;s12;s14;s15;d16;s17;d18;d15s19;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10Cl2N2OS
All Atoms:32
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.5929
Area:535.161
Solvation:-1.78615
Coulombic:-31.5671
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:349.235
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.6
LogP (Chemaxon):5.24

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