Chemical ID: 6729321

CN1C(=NC(=O)C12COC(OC2)c3ccc[nH+]c3)N
Chemical ID:
6729321
Name [?]:
3-amino-4-methyl-8-(1H-pyridin-5-yl)-7,9-dioxa-2,4-diazaspiro[4.5]dec-2-en-1-one
SMILES [?]:
CN1C(=NC(=O)C12COC(OC2)c3ccc[nH+]c3)N
InChi [?]:
InChI=1/C12H14N4O3/c1-16-11(13)15-10(17)12(16)6-18-9(19-7-12)8-3-2-4-14-5-8/h2-5,9H,6-7H2,1H3,(H2,13,15,17)/p+1
InChi Info:
AuxInfo=1/1/N:1,15,14,16,18,8,12,13,10,5,3,7,19,17,4,2,6,9,11/E:(6,7)(18,19)/rA:19nCNCNCOCCOCOCCCCCN+CN/rB:s1;s2;d3;s4;d5;s2s5;s7;s8;s9;s10;s7s11;s10;s13;d14;s15;d16;d13s17;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15N4O3+
All Atoms:34
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-26.5352
Area:424.058
Solvation:-37.1367
Coulombic:-47.0121
Bond Count [?]
All:21
Single:16
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:263.273
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:-0.7
LogP (Chemaxon):-0.16

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