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Chemical ID: 7005092
Chemical ID:
7005092
Name [?]:
5-[(3-ethoxy-4-hydroxy-phenyl)methylene]-2-(2-hydroxyphenyl)amino-thiazol-4-one
SMILES [?]:
CCOc1cc(ccc1O)C=C2C(=O)N=C(S2)Nc3ccccc3O
InChi [?]:
InChI=1/C18H16N2O4S/c1-2-24-15-9-11(7-8-14(15)22)10-16-17(23)20-18(25-16)19-12-5-3-4-6-13(12)21/h3-10,21-22H,2H2,1H3,(H,19,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,21,22,20,23,7,8,5,11,6,19,24,9,4,12,13,16,18,15,25,10,14,3,17/rA:25nCCOCCCCCCOCCCONCSNCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O4S |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.86122 |
Area: | 557.903 |
Solvation: | -5.08636 |
Coulombic: | -68.9464 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 356.397 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 3.31 |
LogP (Chemaxon): | 3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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