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Chemical ID: 6272531

Chemical ID:

6272531

Name [?]:

N-[6-chloro-3-(2-ethoxyethyl)benzothiazol-2-ylidene]-2-phenyl-acetamide

SMILES [?]:

CCOCCn1c2ccc(cc2sc1=NC(=O)Cc3ccccc3)Cl

InChi [?]:

InChI=1/C19H19ClN2O2S/c1-2-24-11-10-22-16-9-8-15(20)13-17(16)25-19(22)21-18(23)12-14-6-4-3-5-7-14/h3-9,13H,2,10-12H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,22,21,23,20,24,9,8,5,4,18,11,19,10,7,12,16,14,25,15,6,17,3,13/E:(4,5)(6,7)/rA:25nCCOCCNCCCCCCSCNCOCCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s6s13;w14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₉ClN₂O₂S
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4891
Area:	544.832
Solvation:	-3.13171
Coulombic:	-32.5798

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	7
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	374.885
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.52
LogP (Chemaxon):	5.43

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