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Chemical ID: 4873200
Chemical ID:
4873200
Name [?]:
5-[(2,3-dimethoxyphenyl)methylene]-2-(3-hydroxyphenyl)amino-thiazol-4-one
SMILES [?]:
COc1cccc(c1OC)C=C2C(=O)N=C(S2)Nc3cccc(c3)O
InChi [?]:
InChI=1/C18H16N2O4S/c1-23-14-8-3-5-11(16(14)24-2)9-15-17(22)20-18(25-15)19-12-6-4-7-13(21)10-12/h3-10,21H,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,10,5,21,6,20,22,4,11,24,7,19,23,3,12,8,13,16,18,15,25,14,2,9,17/rA:25nCOCCCCCCOCCCCONCSNCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O4S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.48618 |
Area: | 550.508 |
Solvation: | -5.27651 |
Coulombic: | -59.9119 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 356.397 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.51 |
LogP (Chemaxon): | 3.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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