Chemical ID: 5928740

CC(C)(C)CC(C)(C)Nc1c(nc2n1cccc2)c3ccc(cc3)OC
Chemical ID:
5928740
Name [?]:
8-(4-methoxyphenyl)-N-(1,1,3,3-tetramethylbutyl)-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
CC(C)(C)CC(C)(C)Nc1c(nc2n1cccc2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C22H29N3O/c1-21(2,3)15-22(4,5)24-20-19(16-10-12-17(26-6)13-11-16)23-18-9-7-8-14-25(18)20/h7-14,24H,15H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,8,26,17,16,18,20,24,21,23,15,5,19,22,13,11,10,2,6,12,9,14,25/E:(1,2,3)(4,5)(10,11)(12,13)/rA:26nCCCCCCCCNCCNCNCCCCCCCCCCOC/rB:s1;s2;s2;s2;s5;s6;s6;s6;s9;d10;s11;d12;s10s13;s14;d15;s16;s13d17;s11;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H29N3O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.3703
Area:526.726
Solvation:-2.79786
Coulombic:-33.0622
Bond Count [?]
All:28
Single:21
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:351.485
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.34
LogP (Chemaxon):5.15

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue