Chemical ID: 7244514

Cc1ccn2c(c1)nc(c2CN3CCNCC3)C
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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