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Chemical ID: 7289324

Chemical ID:

7289324

Name [?]:

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

SMILES [?]:

COc1ccccc1CNC(=O)CSc2nnc(o2)c3ccccc3

InChi [?]:

InChI=1/C18H17N3O3S/c1-23-15-10-6-5-9-14(15)11-19-16(22)12-25-18-21-20-17(24-18)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,22)

InChi Info:

AuxInfo=1/1/N:1,23,22,24,6,5,21,25,7,4,9,13,20,8,3,11,18,15,10,17,16,12,2,19,14/E:(3,4)(7,8)/rA:25nCOCCCCCCCNCOCSCNNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;s15s18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₇N₃O₃S
All Atoms:	42
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7516
Area:	588.688
Solvation:	-3.96563
Coulombic:	-44.9809

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	355.412
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.18
LogP (Chemaxon):	2.59

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value