Chemical ID: 7140797

c1cc(c(c(c1)Cl)Cl)N=C2NC(=O)C(=Cc3ccc(o3)Br)S2
Chemical ID:
7140797
Name [?]:
5-[(5-bromo-2-furyl)methylene]-2-(2,3-dichlorophenyl)imino-thiazolidin-4-one
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)N=C2NC(=O)C(=Cc3ccc(o3)Br)S2
InChi [?]:
InChI=1/C14H7BrCl2N2O2S/c15-11-5-4-7(21-11)6-10-13(20)19-14(22-10)18-9-3-1-2-8(16)12(9)17/h1-6H,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,6,2,17,18,15,16,5,3,14,19,4,12,10,21,7,8,9,11,13,20,22/rA:22nCCCCCCClClNCNCOCCCCCCOBrS/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;w9;s10;s11;d12;s12;w14;s15;d16;s17;d18;s16s19;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H7BrCl2N2O2S
All Atoms:29
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.8029
Area:527.109
Solvation:-3.37484
Coulombic:-34.7374
Bond Count [?]
All:24
Single:16
Double:8
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:418.093
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.84
LogP (Chemaxon):4.77

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