Chemical ID: 4347971

c1cc(cc(c1)Br)C=C2C(=O)N=C(S2)Nc3ccc(cc3)F
Chemical ID:
4347971
Name [?]:
5-[(3-bromophenyl)methylene]-2-(4-fluorophenyl)amino-thiazol-4-one
SMILES [?]:
c1cc(cc(c1)Br)C=C2C(=O)N=C(S2)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C16H10BrFN2OS/c17-11-3-1-2-10(8-11)9-14-15(21)20-16(22-14)19-13-6-4-12(18)5-7-13/h1-9H,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,20,17,21,4,8,3,5,19,16,9,10,13,7,22,15,12,11,14/E:(4,5)(6,7)/rA:22nCCCCCCBrCCCONCSNCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;d10;s10;d12;s9s13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10BrFN2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.89503
Area:502.628
Solvation:-2.67066
Coulombic:-33.7846
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:377.232
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.31
LogP (Chemaxon):5.13

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