Chemical ID: 4794388

Cc1cccc(c1C)NC2=NC(=O)C(=CC=Cc3ccco3)S2
Chemical ID:
4794388
Name [?]:
2-(2,3-dimethylphenyl)amino-5-[3-(2-furyl)prop-2-enylidene]thiazol-4-one
SMILES [?]:
Cc1cccc(c1C)NC2=NC(=O)C(=CC=Cc3ccco3)S2
InChi [?]:
InChI=1/C18H16N2O2S/c1-12-6-3-9-15(13(12)2)19-18-20-17(21)16(23-18)10-4-7-14-8-5-11-22-14/h3-11H,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,4,16,20,3,17,19,5,15,21,2,7,18,6,14,12,10,9,11,13,22,23/rA:23nCCCCCCCCNCNCOCCCCCCCCOS/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s11;d12;s12;w14;s15;w16;s17;d18;s19;d20;s18s21;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.9303
Area:532.38
Solvation:-2.37924
Coulombic:-37.3148
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:324.398
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.99
LogP (Chemaxon):4.62

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