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Chemical ID: 7143134

Cc1ccc(c(c1)[N+](=O)[O-])c2ccc(o2)C=C3C(=O)N=C(S3)Nc4ccc(cc4)NC(=O)C

Chemical ID:

7143134

Name [?]:

N-[4-[5-[[5-(4-methyl-2-nitro-phenyl)-2-furyl]methylene]-4-oxo-thiazol-2-yl]aminophenyl]acetamide

SMILES [?]:

Cc1ccc(c(c1)[N+](=O)[O-])c2ccc(o2)C=C3C(=O)N=C(S3)Nc4ccc(cc4)NC(=O)C

InChi [?]:

InChI=1/C23H18N4O5S/c1-13-3-9-18(19(11-13)27(30)31)20-10-8-17(32-20)12-21-22(29)26-23(33-21)25-16-6-4-15(5-7-16)24-14(2)28/h3-12H,1-2H3,(H,24,28)(H,25,26,29)

InChi Info:

AuxInfo=1/1/N:1,33,3,26,28,25,29,13,4,12,7,16,2,31,27,24,14,5,6,11,17,18,21,30,23,20,8,32,19,9,10,15,22/E:(4,5)(6,7)(30,31)/CRV:27.5/rA:33nCCCCCCCN+OO-CCCCOCCCONCSNCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;d11;s12;d13;s11s14;s14;w16;s17;d18;s18;d20;s17s21;s21;s23;s24;d25;s26;d27;d24s28;s27;s30;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₈N₄O₅S
All Atoms:	51
Heavy Atoms:	33
Chiral Atoms:	None

ZAP Information [?]

Total:	5.87686
Area:	668.2
Solvation:	-10.8281
Coulombic:	-59.9859

Bond Count [?]

All:	36
Single:	23
Double:	13
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.04
LogP (Chemaxon):	None

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

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Chemical Mix	Source	External ID	Descriptor	Value