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Chemical ID: 7255707

Chemical ID:

7255707

Name [?]:

7-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-thia-1,6-diazabicyclo[3.3.0]octa-2,5,7-triene

SMILES [?]:

c1ccc(cc1)c2nnc(o2)Cc3cn4ccsc4n3

InChi [?]:

InChI=1/C14H10N4OS/c1-2-4-10(5-3-1)13-17-16-12(19-13)8-11-9-18-6-7-20-14(18)15-11/h1-7,9H,8H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,5,16,17,12,14,4,13,10,7,19,20,9,8,15,11,18/E:(2,3)(4,5)/rA:20nCCCCCCCNNCOCCCNCCSCN/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;d13;s14;s15;d16;s17;s15s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₀N₄OS
All Atoms:	30
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	9.35369
Area:	473.401
Solvation:	-2.48134
Coulombic:	-25.5229

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	282.322
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	3.95
LogP (Chemaxon):	2.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value