Chemical ID: 4873200

COc1cccc(c1OC)C=C2C(=O)N=C(S2)Nc3cccc(c3)O
Chemical ID:
4873200
Name [?]:
5-[(2,3-dimethoxyphenyl)methylene]-2-(3-hydroxyphenyl)amino-thiazol-4-one
SMILES [?]:
COc1cccc(c1OC)C=C2C(=O)N=C(S2)Nc3cccc(c3)O
InChi [?]:
InChI=1/C18H16N2O4S/c1-23-14-8-3-5-11(16(14)24-2)9-15-17(22)20-18(25-15)19-12-6-4-7-13(21)10-12/h3-10,21H,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,10,5,21,6,20,22,4,11,24,7,19,23,3,12,8,13,16,18,15,25,14,2,9,17/rA:25nCOCCCCCCOCCCCONCSNCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.48618
Area:550.508
Solvation:-5.27651
Coulombic:-59.9119
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:356.397
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.51
LogP (Chemaxon):3.41

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