Chemical ID: 6779720

COC(CNC1=Nc2c(cccn2)OC1)OC
Chemical ID:
6779720
Name [?]:
N-(2,2-dimethoxyethyl)-7-oxa-2,10-diazabicyclo[4.4.0]deca-1,3,5,9-tetraen-9-amine
SMILES [?]:
COC(CNC1=Nc2c(cccn2)OC1)OC
InChi [?]:
InChI=1/C11H15N3O3/c1-15-10(16-2)6-13-9-7-17-8-4-3-5-12-11(8)14-9/h3-5,10H,6-7H2,1-2H3,(H,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,17,11,10,12,4,15,9,6,3,8,13,5,7,2,16,14/E:(1,2)(15,16)/rA:17nCOCCNCNCCCCCNOCOC/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;d11;d8s12;s9;s6s14;s3;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15N3O3
All Atoms:32
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:4.98278
Area:422.573
Solvation:-5.58154
Coulombic:-46.4607
Bond Count [?]
All:18
Single:14
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:237.255
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.28
LogP (Chemaxon):0.92

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