Chemical ID: 5927785

Cc1cccc2n1c(c(n2)c3ccco3)NC4CCCCC4
Chemical ID:
5927785
Name [?]:
N-cyclohexyl-8-(2-furyl)-5-methyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
Cc1cccc2n1c(c(n2)c3ccco3)NC4CCCCC4
InChi [?]:
InChI=1/C18H21N3O/c1-13-7-5-11-16-20-17(15-10-6-12-22-15)18(21(13)16)19-14-8-3-2-4-9-14/h5-7,10-12,14,19H,2-4,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,4,13,3,18,22,12,5,14,2,17,11,6,9,8,16,10,7,15/E:(3,4)(8,9)/rA:22nCCCCCCNCCNCCCCONCCCCCC/rB:s1;d2;s3;d4;s5;s2s6;s7;d8;d6s9;s9;d11;s12;d13;s11s14;s8;s16;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21N3O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.0947
Area:466.489
Solvation:-2.56752
Coulombic:-31.7402
Bond Count [?]
All:25
Single:19
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:295.379
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.85
LogP (Chemaxon):3.49

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Descriptor Annotations

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