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Chemical ID: 7147084

c1cc(ccc1[N+](=O)[O-])OCC(=O)Nc2nc(cs2)c3ccc(cc3Cl)Cl

Chemical ID:

7147084

Name [?]:

N-[4-(2,4-dichlorophenyl)thiazol-2-yl]-2-(4-nitrophenoxy)-acetamide

SMILES [?]:

c1cc(ccc1[N+](=O)[O-])OCC(=O)Nc2nc(cs2)c3ccc(cc3Cl)Cl

InChi [?]:

InChI=1/C17H11Cl2N3O4S/c18-10-1-6-13(14(19)7-10)15-9-27-17(20-15)21-16(23)8-26-12-4-2-11(3-5-12)22(24)25/h1-7,9H,8H2,(H,20,21,23)

InChi Info:

AuxInfo=1/1/N:22,1,5,2,4,21,24,11,18,23,6,3,20,25,17,12,15,27,26,16,14,7,13,8,9,10,19/E:(2,3)(4,5)(24,25)/CRV:22.5/rA:27nCCCCCCN+OO-OCCONCNCCSCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;s11;d12;s12;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₁Cl₂N₃O₄S
All Atoms:	38
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	5.00814
Area:	627.338
Solvation:	-10.6753
Coulombic:	-44.5543

Bond Count [?]

All:	29
Single:	19
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	424.258
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.52
LogP (Chemaxon):	5.21

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