Chemical ID: 5927940

Cc1ccc2nc(c(n2c1)NC3CCCCC3)c4ccccc4[N+](=O)[O-]
Chemical ID:
5927940
Name [?]:
N-cyclohexyl-4-methyl-8-(2-nitrophenyl)-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
Cc1ccc2nc(c(n2c1)NC3CCCCC3)c4ccccc4[N+](=O)[O-]
InChi [?]:
InChI=1/C20H22N4O2/c1-14-11-12-18-22-19(16-9-5-6-10-17(16)24(25)26)20(23(18)13-14)21-15-7-3-2-4-8-15/h5-6,9-13,15,21H,2-4,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,20,21,13,17,19,22,3,4,10,2,12,18,23,5,7,8,11,6,9,24,25,26/E:(3,4)(7,8)(25,26)/CRV:24.5/rA:26nCCCCCNCCNCNCCCCCCCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;s6;d7;s5s8;d2s9;s8;s11;s12;s13;s14;s15;s12s16;s7;s18;d19;s20;d21;d18s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N4O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:5.95326
Area:541.377
Solvation:-7.58117
Coulombic:-35.9271
Bond Count [?]
All:29
Single:21
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:350.414
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.82
LogP (Chemaxon):4.95

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Descriptor Annotations

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