Chemical ID: 4560276

Cn1c2c(c(=O)n(c1=O)C)n3cc(n(c3n2)CCO)c4ccccc4
Chemical ID:
4560276
Name [?]:
None
SMILES [?]:
Cn1c2c(c(=O)n(c1=O)C)n3cc(n(c3n2)CCO)c4ccccc4
InChi [?]:
InChI=1/C17H17N5O3/c1-19-14-13(15(24)20(2)17(19)25)22-10-12(11-6-4-3-5-7-11)21(8-9-23)16(22)18-14/h3-7,10,23H,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,23,22,24,21,25,17,18,12,20,13,4,3,5,15,8,16,2,7,14,11,19,6,9/E:(4,5)(6,7)/rA:25nCNCCCONCOCNCCNCNCCOCCCCCC/rB:s1;s2;d3;s4;d5;s5;s2s7;d8;s7;s4;s11;d12;s13;s11s14;s3d15;s14;s17;s18;s13;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17N5O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.76652
Area:520.198
Solvation:-3.23843
Coulombic:-72.6779
Bond Count [?]
All:28
Single:20
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:339.349
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.64
LogP (Chemaxon):2.01

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Descriptor Annotations

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