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Chemical ID: 6218095

c1ccc(cc1)Oc2ccc(cc2)c3csc(n3)NC(=O)COc4ccc(cc4)Cl

Chemical ID:

6218095

Name [?]:

2-(4-chlorophenoxy)-N-[4-(4-phenoxyphenyl)thiazol-2-yl]-acetamide

SMILES [?]:

c1ccc(cc1)Oc2ccc(cc2)c3csc(n3)NC(=O)COc4ccc(cc4)Cl

InChi [?]:

InChI=1/C23H17ClN2O3S/c24-17-8-12-18(13-9-17)28-14-22(27)26-23-25-21(15-30-23)16-6-10-20(11-7-16)29-19-4-2-1-3-5-19/h1-13,15H,14H2,(H,25,26,27)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,10,12,26,28,9,13,25,29,22,15,11,27,24,4,8,14,20,17,30,18,19,21,23,7,16/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:30nCCCCCCOCCCCCCCCSCNNCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;d14;s15;s16;s14d17;s17;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₇ClN₂O₃S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2579
Area:	674.727
Solvation:	-5.6103
Coulombic:	-43.4693

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	436.911
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.61
LogP (Chemaxon):	6.17

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