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Chemical ID: 4346910

c1ccc2c(c1)cccc2Cc3cnc(s3)NC(=O)COc4ccc(cc4)Cl

Chemical ID:

4346910

Name [?]:

2-(4-chlorophenoxy)-N-[5-(1-naphthylmethyl)thiazol-2-yl]-acetamide

SMILES [?]:

c1ccc2c(c1)cccc2Cc3cnc(s3)NC(=O)COc4ccc(cc4)Cl

InChi [?]:

InChI=1/C22H17ClN2O2S/c23-17-8-10-18(11-9-17)27-14-21(26)25-22-24-13-19(28-22)12-16-6-3-5-15-4-1-2-7-20(15)16/h1-11,13H,12,14H2,(H,24,25,26)

InChi Info:

AuxInfo=1/1/N:1,2,8,6,7,9,3,24,26,23,27,11,13,20,5,10,25,22,12,4,18,15,28,14,17,19,21,16/E:(8,9)(10,11)/rA:28nCCCCCCCCCCCCCNCSNCOCOCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s13;d14;s12s15;s15;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₇ClN₂O₂S
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2646
Area:	631.263
Solvation:	-5.51695
Coulombic:	-34.9043

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	408.901
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.51
LogP (Chemaxon):	5.34

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