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Chemical ID: 6430359
Chemical ID:
6430359
Name [?]:
2-(2-hydroxyphenyl)amino-5-(p-tolylmethylene)thiazol-4-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)N=C(S2)Nc3ccccc3O
InChi [?]:
InChI=1/C17H14N2O2S/c1-11-6-8-12(9-7-11)10-15-16(21)19-17(22-15)18-13-4-2-3-5-14(13)20/h2-10,20H,1H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,18,19,17,20,3,7,4,6,8,2,5,16,21,9,10,13,15,12,22,11,14/E:(6,7)(8,9)/rA:22nCCCCCCCCCCONCSNCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;d12;s9s13;s13;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14N2O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.94859 |
Area: | 500.393 |
Solvation: | -2.56124 |
Coulombic: | -46.9204 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 310.371 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.81 |
LogP (Chemaxon): | 4.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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