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Chemical ID: 4349910
Chemical ID:
4349910
Name [?]:
5-[(4-ethoxyphenyl)methylene]-2-(m-tolylamino)thiazol-4-one
SMILES [?]:
CCOc1ccc(cc1)C=C2C(=O)N=C(S2)Nc3cccc(c3)C
InChi [?]:
InChI=1/C19H18N2O2S/c1-3-23-16-9-7-14(8-10-16)12-17-18(22)21-19(24-17)20-15-6-4-5-13(2)11-15/h4-12H,3H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,2,20,21,19,6,8,5,9,23,10,22,7,18,4,11,12,15,17,14,13,3,16/E:(7,8)(9,10)/rA:24nCCOCCCCCCCCCONCSNCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;d14;s11s15;s15;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7384 |
Area: | 553.921 |
Solvation: | -3.10968 |
Coulombic: | -37.4763 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 338.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.13 |
LogP (Chemaxon): | 4.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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