Chemical ID: 7679144

CC(C(=O)OC)n1cnc2c(c1=O)nnn2c3cccc(c3)OC
Chemical ID:
7679144
Name [?]:
None
SMILES [?]:
CC(C(=O)OC)n1cnc2c(c1=O)nnn2c3cccc(c3)OC
InChi [?]:
InChI=1/C15H15N5O4/c1-9(15(22)24-3)19-8-16-13-12(14(19)21)17-18-20(13)10-5-4-6-11(7-10)23-2/h4-9H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,6,19,18,20,22,8,2,17,21,11,10,12,3,9,14,15,7,16,13,4,23,5/rA:24cCCCOOCNCNCCCONNNCCCCCCOC/rB:s1;s2;d3;s3;s5;s2;s7;d8;s9;d10;s7s11;d12;s11;d14;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15N5O4
All Atoms:39
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:8.74823
Area:522.173
Solvation:-4.3061
Coulombic:-53.6553
Bond Count [?]
All:26
Single:18
Double:8
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.61
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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