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Chemical ID: 3855844

CN(c1nc(cs1)c2ccc(cc2)OC)C(=O)COc3ccc(cc3)[N+](=O)[O-]

Chemical ID:

3855844

Name [?]:

N-[4-(4-methoxyphenyl)thiazol-2-yl]-N-methyl-2-(4-nitrophenoxy)-acetamide

SMILES [?]:

CN(c1nc(cs1)c2ccc(cc2)OC)C(=O)COc3ccc(cc3)[N+](=O)[O-]

InChi [?]:

InChI=1/C19H17N3O5S/c1-21(18(23)11-27-16-9-5-14(6-10-16)22(24)25)19-20-17(12-28-19)13-3-7-15(26-2)8-4-13/h3-10,12H,11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,15,9,13,22,24,10,12,21,25,18,6,8,23,11,20,5,16,3,4,2,26,17,27,28,14,19,7/E:(3,4)(5,6)(7,8)(9,10)(24,25)/CRV:22.5/rA:28nCNCNCCSCCCCCCOCCOCOCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;s3s6;s5;s8;d9;s10;d11;d8s12;s11;s14;s2;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₇N₃O₅S
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	3.70916
Area:	627.434
Solvation:	-11.9767
Coulombic:	-46.929

Bond Count [?]

All:	30
Single:	20
Double:	10
Rotors:	8
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	399.422
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	3.34
LogP (Chemaxon):	3.69

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