Chemical ID: 4867957

COc1cccc(c1OC)C=C2C(=O)N=C(S2)Nc3ccc(cc3)F
Chemical ID:
4867957
Name [?]:
5-[(2,3-dimethoxyphenyl)methylene]-2-(4-fluorophenyl)amino-thiazol-4-one
SMILES [?]:
COc1cccc(c1OC)C=C2C(=O)N=C(S2)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C18H15FN2O3S/c1-23-14-5-3-4-11(16(14)24-2)10-15-17(22)21-18(25-15)20-13-8-6-12(19)7-9-13/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,10,5,6,4,21,23,20,24,11,7,22,19,3,12,8,13,16,25,18,15,14,2,9,17/E:(6,7)(8,9)/rA:25nCOCCCCCCOCCCCONCSNCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15FN2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.31302
Area:541.541
Solvation:-5.2255
Coulombic:-47.7322
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:358.388
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.08
LogP (Chemaxon):3.84

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