Chemical ID: 4335611

Cc1ccc(cc1Cl)NC2=NC(=O)C(=Cc3ccc(cc3)Cl)S2
Chemical ID:
4335611
Name [?]:
2-(3-chloro-4-methyl-phenyl)amino-5-[(4-chlorophenyl)methylene]thiazol-4-one
SMILES [?]:
Cc1ccc(cc1Cl)NC2=NC(=O)C(=Cc3ccc(cc3)Cl)S2
InChi [?]:
InChI=1/C17H12Cl2N2OS/c1-10-2-7-13(9-14(10)19)20-17-21-16(22)15(23-17)8-11-3-5-12(18)6-4-11/h2-9H,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,17,21,18,20,4,15,6,2,16,19,5,7,14,12,10,22,8,9,11,13,23/E:(3,4)(5,6)/rA:23nCCCCCCCClNCNCOCCCCCCCCClS/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12Cl2N2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.9235
Area:549.777
Solvation:-1.82096
Coulombic:-31.273
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:363.261
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.82
LogP (Chemaxon):5.71

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