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Chemical ID: 4418972
Chemical ID:
4418972
Name [?]:
2-(3-chloro-2-methyl-phenyl)amino-5-[(2-ethoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
CCOc1ccccc1C=C2C(=O)N=C(S2)Nc3cccc(c3C)Cl
InChi [?]:
InChI=1/C19H17ClN2O2S/c1-3-24-16-10-5-4-7-13(16)11-17-18(23)22-19(25-17)21-15-9-6-8-14(20)12(15)2/h4-11H,3H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,2,7,6,20,8,21,19,5,10,23,9,22,18,4,11,12,15,25,17,14,13,3,16/rA:25nCCOCCCCCCCCCONCSNCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;d14;s11s15;s15;s17;s18;d19;s20;d21;d18s22;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7663 |
Area: | 577.508 |
Solvation: | -2.6714 |
Coulombic: | -38.4179 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 372.869 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.54 |
LogP (Chemaxon): | 5.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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