Chemical ID: 7141057

c1cc(cc(c1)Br)C=C2C(=O)NC(=Nc3ccc(cc3)F)S2
Chemical ID:
7141057
Name [?]:
5-[(3-bromophenyl)methylene]-2-(4-fluorophenyl)imino-thiazolidin-4-one
SMILES [?]:
c1cc(cc(c1)Br)C=C2C(=O)NC(=Nc3ccc(cc3)F)S2
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:1,2,6,17,19,16,20,4,8,3,5,18,15,9,10,13,7,21,14,12,11,22/E:(4,5)(6,7)/rA:22nCCCCCCBrCCCONCNCCCCCCFS/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10BrFN2OS
All Atoms:32
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.64739
Area:494.119
Solvation:-2.70557
Coulombic:-33.2821
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:377.232
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.05
LogP (Chemaxon):5.28

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