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Chemical ID: 5368138

c1ccc(cc1)c2nnc(o2)SCC(=O)Nc3nc(cs3)c4ccc(cc4)Cl

Chemical ID:

5368138

Name [?]:

N-[4-(4-chlorophenyl)thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

SMILES [?]:

c1ccc(cc1)c2nnc(o2)SCC(=O)Nc3nc(cs3)c4ccc(cc4)Cl

InChi [?]:

InChI=1/C19H13ClN4O2S2/c20-14-8-6-12(7-9-14)15-10-27-18(21-15)22-16(25)11-28-19-24-23-17(26-19)13-4-2-1-3-5-13/h1-10H,11H2,(H,21,22,25)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,23,27,24,26,20,13,22,4,25,19,14,7,17,10,28,18,16,8,9,15,11,21,12/E:(2,3)(4,5)(6,7)(8,9)/rA:28nCCCCCCCNNCOSCCONCNCCSCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;s13;d14;s14;s16;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₃ClN₄O₂S₂
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	13.2235
Area:	660.924
Solvation:	-3.29962
Coulombic:	-43.433

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	428.917
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.58
LogP (Chemaxon):	5.09

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