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Chemical ID: 7399500
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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