Chemical ID: 4346222

c1ccc(cc1)C=C2C(=O)N=C(S2)Nc3cccc(c3Cl)Cl
Chemical ID:
4346222
Name [?]:
5-benzylidene-2-(2,3-dichlorophenyl)amino-thiazol-4-one
SMILES [?]:
c1ccc(cc1)C=C2C(=O)N=C(S2)Nc3cccc(c3Cl)Cl
InChi [?]:
InChI=1/C16H10Cl2N2OS/c17-11-7-4-8-12(14(11)18)19-16-20-15(21)13(22-16)9-10-5-2-1-3-6-10/h1-9H,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,3,5,18,16,7,4,19,15,8,20,9,12,22,21,14,11,10,13/E:(2,3)(5,6)/rA:22nCCCCCCCCCONCSNCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;d11;s8s12;s12;s14;s15;d16;s17;d18;d15s19;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10Cl2N2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.3518
Area:523.036
Solvation:-1.72413
Coulombic:-31.9204
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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