Chemical ID: 7088929

Cc1ccn2c(c1)nc(c2CN3CCNCC3)c4ccc(c(c4)OC)OC
Chemical ID:
7088929
Name [?]:
8-(3,4-dimethoxyphenyl)-4-methyl-9-(piperazin-1-ylmethyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
Cc1ccn2c(c1)nc(c2CN3CCNCC3)c4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C21H26N4O2/c1-15-6-9-25-17(14-24-10-7-22-8-11-24)21(23-20(25)12-15)16-4-5-18(26-2)19(13-16)27-3/h4-6,9,12-13,22H,7-8,10-11,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,25,19,20,3,14,16,4,13,17,7,23,11,2,18,10,21,22,6,9,15,8,12,5,26,24/E:(7,8)(10,11)/rA:27nCCCCNCCNCCCNCCNCCCCCCCCOCOC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;s12;s13;s14;s15;s12s16;s9;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26N4O2
All Atoms:53
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.44041
Area:571.838
Solvation:-5.85555
Coulombic:-38.4302
Bond Count [?]
All:30
Single:23
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:366.457
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.03
LogP (Chemaxon):2.48

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