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Chemical ID: 5286376
Chemical ID:
5286376
Name [?]:
None
SMILES [?]:
CC(C)(C)NC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=N)C
InChi [?]:
InChI=1/C17H19N5O2/c1-17(2,3)20-15(23)10-9-11-14(21(4)13(10)18)19-12-7-5-6-8-22(12)16(11)24/h5-9,18H,1-4H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,3,4,24,15,16,14,17,9,8,10,13,22,11,6,19,2,23,12,5,21,18,7,20/E:(1,2,3)/rA:24nCCCCNCOCCCCNCCCCCNCONCNC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;d12;s13;d14;s15;d16;s13s17;s10s18;d19;s11;s8s21;w22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N5O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2002 |
Area: | 506.085 |
Solvation: | -2.4519 |
Coulombic: | -61.7305 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 325.365 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.18 |
LogP (Chemaxon): | 1.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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