Chemical ID: 5928635

Cc1ccc(cc1)c2c(n3cccnc3n2)NC4CCCCC4
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

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Descriptor Annotations

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