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Chemical ID: 4839595
Chemical ID:
4839595
Name [?]:
5-(2-furylmethylene)-2-(4-hydroxyphenyl)amino-thiazol-4-one
SMILES [?]:
c1cc(oc1)C=C2C(=O)N=C(S2)Nc3ccc(cc3)O
InChi [?]:
InChI=1/C14H10N2O3S/c17-10-5-3-9(4-6-10)15-14-16-13(18)12(20-14)8-11-2-1-7-19-11/h1-8,17H,(H,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,15,19,16,18,5,6,14,17,3,7,8,11,13,10,20,9,4,12/E:(3,4)(5,6)/rA:20nCCCOCCCCONCSNCCCCCCO/rB:s1;d2;s3;d1s4;s3;w6;s7;d8;s8;d10;s7s11;s11;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10N2O3S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.28051 |
Area: | 462.711 |
Solvation: | -4.28727 |
Coulombic: | -49.0712 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 286.307 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.23 |
LogP (Chemaxon): | 2.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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