Chemical ID: 7514183

Cc1cccc(c1C)NC2=NC(=O)C(=Cc3ccc(cc3)O)S2
Chemical ID:
7514183
Name [?]:
2-(2,3-dimethylphenyl)amino-5-[(4-hydroxyphenyl)methylene]thiazol-4-one
SMILES [?]:
Cc1cccc(c1C)NC2=NC(=O)C(=Cc3ccc(cc3)O)S2
InChi [?]:
InChI=1/C18H16N2O2S/c1-11-4-3-5-15(12(11)2)19-18-20-17(22)16(23-18)10-13-6-8-14(21)9-7-13/h3-10,21H,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,8,4,3,5,17,21,18,20,15,2,7,16,19,6,14,12,10,9,11,22,13,23/E:(6,7)(8,9)/rA:23nCCCCCCCCNCNCOCCCCCCCCOS/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O2S
All Atoms:39
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:10.1686
Area:519.399
Solvation:-2.81639
Coulombic:-45.8063
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.61
LogP (Chemaxon):None

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Descriptor Annotations

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