Chemical ID: 4841259

Cc1ccc(cc1)C=C2C(=O)N=C(S2)Nc3ccc(cc3)O
Chemical ID:
4841259
Name [?]:
2-(4-hydroxyphenyl)amino-5-(p-tolylmethylene)thiazol-4-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)N=C(S2)Nc3ccc(cc3)O
InChi [?]:
InChI=1/C17H14N2O2S/c1-11-2-4-12(5-3-11)10-15-16(21)19-17(22-15)18-13-6-8-14(20)9-7-13/h2-10,20H,1H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,17,21,18,20,8,2,5,16,19,9,10,13,15,12,22,11,14/E:(2,3)(4,5)(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;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.67523
Area:502.874
Solvation:-2.89662
Coulombic:-45.7338
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:2.96
LogP (Chemaxon):4.39

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