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Chemical ID: 5366380

COc1cccc(c1)c2nnc(o2)SCC(=O)Nc3nc(cs3)c4ccccc4

Chemical ID:

5366380

Name [?]:

2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylthiazol-2-yl)-acetamide

SMILES [?]:

COc1cccc(c1)c2nnc(o2)SCC(=O)Nc3nc(cs3)c4ccccc4

InChi [?]:

InChI=1/C20H16N4O3S2/c1-26-15-9-5-8-14(10-15)18-23-24-20(27-18)29-12-17(25)22-19-21-16(11-28-19)13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,21,22,25)

InChi Info:

AuxInfo=1/1/N:1,27,26,28,5,25,29,6,4,8,22,15,24,7,3,21,16,9,19,12,20,18,10,11,17,2,13,23,14/E:(3,4)(6,7)/rA:29nCOCCCCCCCNNCOSCCONCNCCSCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;d11;s9s12;s12;s14;s15;d16;s16;s18;d19;s20;d21;s19s22;s21;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₆N₄O₃S₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.9388
Area:	663.496
Solvation:	-4.64863
Coulombic:	-49.4163

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	424.498
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.87
LogP (Chemaxon):	4.32

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