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Chemical ID: 4360177

Chemical ID:

4360177

Name [?]:

2,8-diethyl-4,6-dimethyl-2,4,6,8-tetrazabicyclo[3.3.0]octane-3,7-dione

SMILES [?]:

CCN1C2C(N(C1=O)C)N(C(=O)N2CC)C

InChi [?]:

InChI=1/C10H18N4O2/c1-5-13-8-7(11(3)9(13)15)12(4)10(16)14(8)6-2/h7-8H,5-6H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,15,9,16,2,14,5,4,7,11,6,10,3,13,8,12/E:(1,2)(3,4)(5,6)(9,10)(11,12)(13,14)(15,16)/rA:16nCCNCCNCOCNCONCCC/rB:s1;s2;s3;s4;s5;s3s6;d7;s6;s5;s10;d11;s4s11;s13;s14;s10;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₁₈N₄O₂
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	6.85343
Area:	389.678
Solvation:	-2.88851
Coulombic:	-51.3218

Bond Count [?]

All:	17
Single:	15
Double:	2
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	226.276
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	-0.17
LogP (Chemaxon):	0.19

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