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Chemical ID: 5375615

Cc1ccc(cc1)c2csc(n2)NC(=O)CSc3nnc(o3)c4ccccc4Cl

Chemical ID:

5375615

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1)c2csc(n2)NC(=O)CSc3nnc(o3)c4ccccc4Cl

InChi [?]:

InChI=1/C20H15ClN4O2S2/c1-12-6-8-13(9-7-12)16-10-28-19(22-16)23-17(26)11-29-20-25-24-18(27-20)14-4-2-3-5-15(14)21/h2-10H,11H2,1H3,(H,22,23,26)

InChi Info:

AuxInfo=1/1/N:1,25,26,24,27,3,7,4,6,9,16,2,5,23,28,8,14,21,11,18,29,12,13,20,19,15,22,10,17/E:(6,7)(8,9)/rA:29nCCCCCCCCCSCNNCOCSCNNCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;d18;s19;d20;s18s21;s21;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₅ClN₄O₂S₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	13.2408
Area:	664.427
Solvation:	-3.36983
Coulombic:	-43.0104

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	442.944
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.01
LogP (Chemaxon):	5.56

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