Chemical ID: 7205995

CCOc1ccccc1NC2=NC(=O)C(=Cc3ccc[nH+]c3)S2
Chemical ID:
7205995
Name [?]:
2-(2-ethoxyphenyl)amino-5-(1H-pyridin-5-ylmethylene)thiazol-4-one
SMILES [?]:
CCOc1ccccc1NC2=NC(=O)C(=Cc3ccc[nH+]c3)S2
InChi [?]:
InChI=1/C17H15N3O2S/c1-2-22-14-8-4-3-7-13(14)19-17-20-16(21)15(23-17)10-12-6-5-9-18-11-12/h3-11H,2H2,1H3,(H,19,20,21)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,7,6,19,18,8,5,20,16,22,17,9,4,15,13,11,21,10,12,14,3,23/rA:23nCCOCCCCCCNCNCOCCCCCCN+CS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N3O2S+
All Atoms:39
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-23.8465
Area:528.366
Solvation:-37.0557
Coulombic:-26.429
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:326.394
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.44
LogP (Chemaxon):2.98

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