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Chemical ID: 4903379
Chemical ID:
4903379
Name [?]:
5-[(4-allyloxyphenyl)methylene]-2-(4-hydroxyphenyl)amino-thiazol-4-one
SMILES [?]:
C=CCOc1ccc(cc1)C=C2C(=O)N=C(S2)Nc3ccc(cc3)O
InChi [?]:
InChI=1/C19H16N2O3S/c1-2-11-24-16-9-3-13(4-10-16)12-17-18(23)21-19(25-17)20-14-5-7-15(22)8-6-14/h2-10,12,22H,1,11H2,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,7,9,20,24,21,23,6,10,3,11,8,19,22,5,12,13,16,18,15,25,14,4,17/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCCOCCCCCCCCCONCSNCCCCCCO/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1957 |
Area: | 569.221 |
Solvation: | -4.03488 |
Coulombic: | -54.2572 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 352.408 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.05 |
LogP (Chemaxon): | 4.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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