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Chemical ID: 7028732

c1cc(ccc1Cc2cnc(s2)NC(=O)c3ccc(o3)c4cc(ccc4Cl)Cl)Br

Chemical ID:

7028732

Name [?]:

N-[5-[(4-bromophenyl)methyl]thiazol-2-yl]-5-(2,5-dichlorophenyl)-furan-2-carboxamide

SMILES [?]:

c1cc(ccc1Cc2cnc(s2)NC(=O)c3ccc(o3)c4cc(ccc4Cl)Cl)Br

InChi [?]:

InChI=1/C21H13BrCl2N2O2S/c22-13-3-1-12(2-4-13)9-15-11-25-21(29-15)26-20(27)19-8-7-18(28-19)16-10-14(23)5-6-17(16)24/h1-8,10-11H,9H2,(H,25,26,27)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,24,25,18,17,7,22,9,6,3,23,8,21,26,19,16,14,11,29,28,27,10,13,15,20,12/E:(1,2)(3,4)/rA:29nCCCCCCCCCNCSNCOCCCCOCCCCCCClClBr/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;s26;s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₃BrCl₂N₂O₂S
All Atoms:	42
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	13.7841
Area:	682.328
Solvation:	-3.27407
Coulombic:	-38.0488

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	508.216
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.64
LogP (Chemaxon):	6.27

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value