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Chemical ID: 5699333

c1cnc(nc1)N2CC[NH+](CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O

Chemical ID:

5699333

Name [?]:

8-[4-(4-pyrimidin-2-yl-2,3,5,6-tetrahydropyrazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione

SMILES [?]:

c1cnc(nc1)N2CC[NH+](CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O

InChi [?]:

InChI=1/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2/p+1

InChi Info:

AuxInfo=1/1/N:23,24,14,15,1,22,25,2,6,13,16,9,11,8,12,20,26,18,27,4,21,3,5,10,7,17,19,28/E:(1,2)(6,7)(8,9)(12,13)(14,15)(16,17)(18,19)(22,23)(27,28)/rA:28nCCNCNCNCCN+CCCCCCNCOCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;s14;s15;s16;s17;d18;s18;s20;s21;s22;s23;s21s24;s21;s17s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₃₂N₅O₂₊
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	-16.3019
Area:	615.884
Solvation:	-31.699
Coulombic:	-13.5571

Bond Count [?]

All:	31
Single:	26
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	386.511
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.26
LogP (Chemaxon):	1.61

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