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Chemical ID: 7514183
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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