Chemical ID: 7143389

COc1ccc(c(c1)OC)NC2=NC(=O)C(=Cc3cccnc3)S2
Chemical ID:
7143389
Name [?]:
2-(2,4-dimethoxyphenyl)amino-5-(3-pyridylmethylene)thiazol-4-one
SMILES [?]:
COc1ccc(c(c1)OC)NC2=NC(=O)C(=Cc3cccnc3)S2
InChi [?]:
InChI=1/C17H15N3O3S/c1-22-12-5-6-13(14(9-12)23-2)19-17-20-16(21)15(24-17)8-11-4-3-7-18-10-11/h3-10H,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,10,20,19,4,5,21,17,8,23,18,3,6,7,16,14,12,22,11,13,15,2,9,24/rA:24nCOCCCCCCOCNCNCOCCCCCCNCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15N3O3S
All Atoms:39
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.92372
Area:538.323
Solvation:-4.53437
Coulombic:-47.6452
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:341.385
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.93
LogP (Chemaxon):2.39

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