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Chemical ID: 7143132

CCc1ccccc1NC2=NC(=O)C(=Cc3ccc(o3)c4ccc(cc4Cl)[N+](=O)[O-])S2

Chemical ID:

7143132

Name [?]:

5-[[5-(2-chloro-4-nitro-phenyl)-2-furyl]methylene]-2-(2-ethylphenyl)amino-thiazol-4-one

SMILES [?]:

CCc1ccccc1NC2=NC(=O)C(=Cc3ccc(o3)c4ccc(cc4Cl)[N+](=O)[O-])S2

InChi [?]:

InChI=1/C22H16ClN3O4S/c1-2-13-5-3-4-6-18(13)24-22-25-21(27)20(31-22)12-15-8-10-19(30-15)16-9-7-14(26(28)29)11-17(16)23/h3-12H,2H2,1H3,(H,24,25,27)

InChi Info:

AuxInfo=1/1/N:1,2,5,6,4,7,23,17,22,18,25,15,3,24,16,21,26,8,19,14,12,10,27,9,11,28,13,29,30,20,31/E:(28,29)/CRV:26.5/rA:31nCCCCCCCCNCNCOCCCCCCOCCCCCCClN+OO-S/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;d12;s12;w14;s15;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;s26;s24;d28;s28;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₆ClN₃O₄S
All Atoms:	47
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	7.06419
Area:	658.567
Solvation:	-9.39999
Coulombic:	-45.5716

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.09
LogP (Chemaxon):	None

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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