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Chemical ID: 5083280

Chemical ID:

5083280

Name [?]:

N-(5-benzylthiazol-2-yl)-2-(2-chlorophenoxy)-acetamide

SMILES [?]:

c1ccc(cc1)Cc2cnc(s2)NC(=O)COc3ccccc3Cl

InChi [?]:

InChI=1/C18H15ClN2O2S/c19-15-8-4-5-9-16(15)23-12-17(22)21-18-20-11-14(24-18)10-13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H,20,21,22)

InChi Info:

AuxInfo=1/1/N:1,2,6,21,20,3,5,22,19,7,9,16,4,8,23,18,14,11,24,10,13,15,17,12/E:(2,3)(6,7)/rA:24nCCCCCCCCCNCSNCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₅ClN₂O₂S
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	8.91774
Area:	576.967
Solvation:	-5.50642
Coulombic:	-34.5265

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	358.843
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.25
LogP (Chemaxon):	4.34

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