Chemical ID: 7399500

Cc1cn2c3c(nc2o1)n(c(=O)n(c3=O)CCC(C)C)C
Chemical ID:
7399500
Name [?]:
None
SMILES [?]:
Cc1cn2c3c(nc2o1)n(c(=O)n(c3=O)CCC(C)C)C
InChi [?]:
InChI=1/C14H18N4O3/c1-8(2)5-6-17-12(19)10-11(16(4)14(17)20)15-13-18(10)7-9(3)21-13/h7-8H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:19,20,1,21,17,16,3,18,2,5,6,14,8,11,7,10,13,4,15,12,9/E:(1,2)/rA:21nCCCNCCNCONCONCOCCCCCC/rB:s1;d2;s3;s4;d5;s6;s4d7;s2s8;s6;s10;d11;s11;s5s13;d14;s13;s16;s17;s18;s18;s10;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N4O3
All Atoms:39
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.5681
Area:475.757
Solvation:-2.32583
Coulombic:-56.9595
Bond Count [?]
All:23
Single:18
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:290.318
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.07
LogP (Chemaxon):2.49

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Descriptor Annotations

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