Chemical ID: 7678167

CCC(C(=O)OC)n1cnc2c(c1=O)nnn2c3ccc(cc3)C
Chemical ID:
7678167
Name [?]:
None
SMILES [?]:
CCC(C(=O)OC)n1cnc2c(c1=O)nnn2c3ccc(cc3)C
InChi [?]:
InChI=1/C16H17N5O3/c1-4-12(16(23)24-3)20-9-17-14-13(15(20)22)18-19-21(14)11-7-5-10(2)6-8-11/h5-9,12H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,7,2,20,22,19,23,9,21,18,3,12,11,13,4,10,15,16,8,17,14,5,6/E:(5,6)(7,8)/rA:24cCCCCOOCNCNCCCONNNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s3;s8;d9;s10;d11;s8s12;d13;s12;d15;s11s16;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17N5O3
All Atoms:41
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:10.2339
Area:526.491
Solvation:-2.92838
Coulombic:-47.8348
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:1.49
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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