Chemical ID: 7679130

CCOC(=O)C(C)n1cnc2c(c1=O)nnn2c3cccc(c3)OC
Chemical ID:
7679130
Name [?]:
None
SMILES [?]:
CCOC(=O)C(C)n1cnc2c(c1=O)nnn2c3cccc(c3)OC
InChi [?]:
InChI=1/C16H17N5O4/c1-4-25-16(23)10(2)20-9-17-14-13(15(20)22)18-19-21(14)11-6-5-7-12(8-11)24-3/h5-10H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,7,25,2,20,19,21,23,9,6,18,22,12,11,13,4,10,15,16,8,17,14,5,24,3/rA:25cCCOCOCCNCNCCCONNNCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s6;s8;d9;s10;d11;s8s12;d13;s12;d15;s11s16;s17;s18;d19;s20;d21;d18s22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17N5O4
All Atoms:42
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:9.54309
Area:549.55
Solvation:-4.19567
Coulombic:-54.0142
Bond Count [?]
All:27
Single:19
Double:8
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.03
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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