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Chemical ID: 5291275
Chemical ID:
5291275
Name [?]:
None
SMILES [?]:
Cn1c(=N)c(cc2c1nc3ccccn3c2=O)C(=O)N4CCN(CC4)C
InChi [?]:
InChI=1/C18H20N6O2/c1-21-7-9-23(10-8-21)17(25)12-11-13-16(22(2)15(12)19)20-14-5-3-4-6-24(14)18(13)26/h3-6,11,19H,7-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:26,1,12,13,11,14,22,24,21,25,6,5,7,10,3,8,18,16,4,9,23,2,20,15,19,17/E:(7,8)(9,10)/rA:26nCNCNCCCCNCCCCCNCOCONCCNCCC/rB:s1;s2;w3;s3;d5;s6;s2d7;s8;d9;s10;d11;s12;d13;s10s14;s7s15;d16;s5;d18;s18;s20;s21;s22;s23;s20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N6O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.40412 |
Area: | 527.939 |
Solvation: | -3.79435 |
Coulombic: | -60.5525 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 352.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | -0.33 |
LogP (Chemaxon): | 1.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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