Chemical ID: 5928890

Cc1ccc2nc(c(n2c1)NC(C)(C)CC(C)(C)C)c3ccc(cc3)OC
Chemical ID:
5928890
Name [?]:
8-(4-methoxyphenyl)-4-methyl-N-(1,1,3,3-tetramethylbutyl)-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
Cc1ccc2nc(c(n2c1)NC(C)(C)CC(C)(C)C)c3ccc(cc3)OC
InChi [?]:
InChI=1/C23H31N3O/c1-16-8-13-19-24-20(17-9-11-18(27-7)12-10-17)21(26(19)14-16)25-23(5,6)15-22(2,3)4/h8-14,25H,15H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,17,18,19,13,14,27,3,21,25,22,24,4,10,15,2,20,23,5,7,8,16,12,6,11,9,26/E:(2,3,4)(5,6)(9,10)(11,12)/rA:27nCCCCCNCCNCNCCCCCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;s6;d7;s5s8;d2s9;s8;s11;s12;s12;s12;s15;s16;s16;s16;s7;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H31N3O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.9851
Area:547.022
Solvation:-2.69041
Coulombic:-33.2409
Bond Count [?]
All:29
Single:22
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:365.512
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.48
LogP (Chemaxon):5.62

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