Chemical ID: 4840016

COc1cc(ccc1O)C=C2C(=O)N=C(S2)Nc3ccc(cc3)O
Chemical ID:
4840016
Name [?]:
5-[(4-hydroxy-3-methoxy-phenyl)methylene]-2-(4-hydroxyphenyl)amino-thiazol-4-one
SMILES [?]:
COc1cc(ccc1O)C=C2C(=O)N=C(S2)Nc3ccc(cc3)O
InChi [?]:
InChI=1/C17H14N2O4S/c1-23-14-8-10(2-7-13(14)21)9-15-16(22)19-17(24-15)18-11-3-5-12(20)6-4-11/h2-9,20-21H,1H3,(H,18,19,22)
InChi Info:
AuxInfo=1/1/N:1,6,19,23,20,22,7,4,10,5,18,21,8,3,11,12,15,17,14,24,9,13,2,16/E:(3,4)(5,6)/rA:24nCOCCCCCCOCCCONCSNCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;d12;s12;d14;s11s15;s15;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N2O4S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.86837
Area:534.573
Solvation:-5.49597
Coulombic:-67.477
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:342.37
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:2.03
LogP (Chemaxon):3.38

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