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Chemical ID: 5928635
Chemical ID:
5928635
Name [?]:
N-cyclohexyl-8-(p-tolyl)-1,5,7-triazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
Cc1ccc(cc1)c2c(n3cccnc3n2)NC4CCCCC4
InChi [?]:
InChI=1/C19H22N4/c1-14-8-10-15(11-9-14)17-18(21-16-6-3-2-4-7-16)23-13-5-12-20-19(23)22-17/h5,8-13,16,21H,2-4,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,20,22,12,19,23,3,7,4,6,13,11,2,5,18,8,9,15,14,17,16,10/E:(3,4)(6,7)(8,9)(10,11)/rA:23nCCCCCCCCCNCCCNCNNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;d11;s12;d13;s10s14;s8d15;s9;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5336 |
Area: | 496.585 |
Solvation: | -1.88103 |
Coulombic: | -32.114 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 306.405 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.65 |
LogP (Chemaxon): | 4.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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