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Chemical ID: 7174530
Chemical ID:
7174530
Name [?]:
None
SMILES [?]:
Cn1c2c(cn1)c3nc(nn3cn2)Cn4c5ccccc5c6c4CCCC6
InChi [?]:
InChI=1/C20H19N7/c1-25-19-15(10-22-25)20-23-18(24-27(20)12-21-19)11-26-16-8-4-2-6-13(16)14-7-3-5-9-17(14)26/h2,4,6,8,10,12H,3,5,7,9,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,26,18,25,20,27,17,24,5,14,12,21,22,4,16,23,9,3,7,13,6,8,10,2,15,11/rA:27nCNCCCNCNCNNCNCNCCCCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s4;d7;s8;d9;s7s10;s11;s3d12;s9;s14;s15;s16;d17;s18;d19;d16s20;s21;s15d22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19N7 |
All Atoms: | 46 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7959 |
Area: | 546.794 |
Solvation: | -2.87392 |
Coulombic: | -27.8821 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 357.412 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.88 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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