Chemical ID: 4903379

C=CCOc1ccc(cc1)C=C2C(=O)N=C(S2)Nc3ccc(cc3)O
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

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Descriptor Annotations

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