Chemical ID: 6463820

COc1ccc(cc1)C=C2C(=O)N=C(S2)Nc3ccc(cc3)F
Chemical ID:
6463820
Name [?]:
2-(4-fluorophenyl)amino-5-[(4-methoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
COc1ccc(cc1)C=C2C(=O)N=C(S2)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C17H13FN2O2S/c1-22-14-8-2-11(3-9-14)10-15-16(21)20-17(23-15)19-13-6-4-12(18)5-7-13/h2-10H,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,7,19,21,18,22,4,8,9,6,20,17,3,10,11,14,23,16,13,12,2,15/E:(2,3)(4,5)(6,7)(8,9)/rA:23nCOCCCCCCCCCONCSNCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;d13;s10s14;s14;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13FN2O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.68808
Area:508.605
Solvation:-4.02706
Coulombic:-40.2427
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:328.362
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.43
LogP (Chemaxon):4.09

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