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Chemical ID: 7135023
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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