Chemical ID: 5928736

CC(C)(C)CC(C)(C)Nc1c(nc2n1cccc2)c3ccc(c(c3)OC)OC
Chemical ID:
5928736
Name [?]:
8-(3,4-dimethoxyphenyl)-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(c(c3)OC)OC
InChi [?]:
InChI=1/C23H31N3O2/c1-22(2,3)15-23(4,5)25-21-20(24-19-10-8-9-13-26(19)21)16-11-12-17(27-6)18(14-16)28-7/h8-14,25H,15H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,8,28,26,17,16,18,20,21,15,24,5,19,22,23,13,11,10,2,6,12,9,14,27,25/E:(1,2,3)(4,5)/rA:28nCCCCCCCCNCCNCNCCCCCCCCCCOCOC/rB:s1;s2;s2;s2;s5;s6;s6;s6;s9;d10;s11;d12;s10s13;s14;d15;s16;s13d17;s11;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H31N3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.24618
Area:562.237
Solvation:-4.80975
Coulombic:-39.2425
Bond Count [?]
All:30
Single:23
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:381.511
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.98
LogP (Chemaxon):4.9

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