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Chemical ID: 7244514
Chemical ID:
7244514
Name [?]:
4,8-dimethyl-9-(piperazin-1-ylmethyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
Cc1ccn2c(c1)nc(c2CN3CCNCC3)C
InChi [?]:
InChI=1/C14H20N4/c1-11-3-6-18-13(12(2)16-14(18)9-11)10-17-7-4-15-5-8-17/h3,6,9,15H,4-5,7-8,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,3,14,16,4,13,17,7,11,2,9,10,6,15,8,12,5/E:(4,5)(7,8)/rA:18nCCCCNCCNCCCNCCNCCC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;s12;s13;s14;s15;s12s16;s9;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N4 |
All Atoms: | 38 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.18146 |
Area: | 424.022 |
Solvation: | -2.4191 |
Coulombic: | -23.4412 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 244.336 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.75 |
LogP (Chemaxon): | 1.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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