Chemical ID: 4854766

Cc1ccc(cc1C)NC2=NC(=O)C(=Cc3ccccc3OC)S2
Chemical ID:
4854766
Name [?]:
2-(3,4-dimethylphenyl)amino-5-[(2-methoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
Cc1ccc(cc1C)NC2=NC(=O)C(=Cc3ccccc3OC)S2
InChi [?]:
InChI=1/C19H18N2O2S/c1-12-8-9-15(10-13(12)2)20-19-21-18(22)17(24-19)11-14-6-4-5-7-16(14)23-3/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,23,18,19,17,20,3,4,6,15,2,7,16,5,21,14,12,10,9,11,13,22,24/rA:24nCCCCCCCCNCNCOCCCCCCCCOCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.5134
Area:540.274
Solvation:-2.99346
Coulombic:-37.4153
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:338.424
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.14
LogP (Chemaxon):4.89

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Descriptor Annotations

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