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Chemical ID: 6272003

Chemical ID:

6272003

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C20H22N2O2S/c1-3-24-12-11-22-17-10-9-15(2)13-18(17)25-20(22)21-19(23)14-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,25,2,22,21,23,20,24,9,8,5,4,11,18,10,19,7,12,16,14,15,6,17,3,13/E:(5,6)(7,8)/rA:25nCCOCCNCCCCCCSCNCOCCCCCCCC/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:	C₂₀H₂₂N₂O₂S
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2424
Area:	533.024
Solvation:	-3.0832
Coulombic:	-32.5855

Bond Count [?]

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

Chemical Properties

Molecular Weight:	354.467
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.33
LogP (Chemaxon):	5.38

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