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Chemical ID: 4082060

Chemical ID:

4082060

Name [?]:

5-[(3,5-dibromo-4-hydroxy-phenyl)methylene]thiazolidine-2,4-dione

SMILES [?]:

c1c(cc(c(c1Br)O)Br)C=C2C(=O)NC(=O)S2

InChi [?]:

InChI=1/C10H5Br2NO3S/c11-5-1-4(2-6(12)8(5)14)3-7-9(15)13-10(16)17-7/h1-3,14H,(H,13,15,16)

InChi Info:

AuxInfo=1/1/N:1,3,10,2,6,4,11,5,12,15,7,9,14,8,13,16,17/E:(1,2)(5,6)(11,12)/rA:17nCCCCCCBrOBrCCCONCOS/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;s2;w10;s11;d12;s12;s14;d15;s11s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₅Br₂NO₃S
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	7.64754
Area:	427.158
Solvation:	-3.03141
Coulombic:	-47.4585

Bond Count [?]

All:	18
Single:	12
Double:	6
Rotors:	1
Chiral:	1
Rigid Segments:	2

Chemical Properties

Molecular Weight:	379.026
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.62
LogP (Chemaxon):	3.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value