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Chemical ID: 6430357
Chemical ID:
6430357
Name [?]:
2-(2-hydroxyphenyl)amino-5-[(2-methoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
COc1ccccc1C=C2C(=O)N=C(S2)Nc3ccccc3O
InChi [?]:
InChI=1/C17H14N2O3S/c1-22-14-9-5-2-6-11(14)10-15-16(21)19-17(23-15)18-12-7-3-4-8-13(12)20/h2-10,20H,1H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,6,19,20,5,7,18,21,4,9,8,17,22,3,10,11,14,16,13,23,12,2,15/rA:23nCOCCCCCCCCCONCSNCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s11;d13;s10s14;s14;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14N2O3S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.32848 |
Area: | 514.104 |
Solvation: | -3.52413 |
Coulombic: | -53.995 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 326.371 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.29 |
LogP (Chemaxon): | 3.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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