Chemical ID: 6430357

COc1ccccc1C=C2C(=O)N=C(S2)Nc3ccccc3O
Chemical ID:
6430357
Name [?]:
2-(2-hydroxyphenyl)amino-5-[(2-methoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
COc1ccccc1C=C2C(=O)N=C(S2)Nc3ccccc3O
InChi [?]:
InChI=1/C17H14N2O3S/c1-22-14-9-5-2-6-11(14)10-15-16(21)19-17(23-15)18-12-7-3-4-8-13(12)20/h2-10,20H,1H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,6,19,20,5,7,18,21,4,9,8,17,22,3,10,11,14,16,13,23,12,2,15/rA:23nCOCCCCCCCCCONCSNCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s11;d13;s10s14;s14;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N2O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.32848
Area:514.104
Solvation:-3.52413
Coulombic:-53.995
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:326.371
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.29
LogP (Chemaxon):3.67

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