Chemical ID: 7088930

Cc1cccn2c1nc(c2CN3CCNCC3)c4ccc(c(c4)OC)OC
Chemical ID:
7088930
Name [?]:
8-(3,4-dimethoxyphenyl)-5-methyl-9-(piperazin-1-ylmethyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
Cc1cccn2c1nc(c2CN3CCNCC3)c4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C21H26N4O2/c1-15-5-4-10-25-17(14-24-11-8-22-9-12-24)20(23-21(15)25)16-6-7-18(26-2)19(13-16)27-3/h4-7,10,13,22H,8-9,11-12,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,25,4,3,19,20,14,16,5,13,17,23,11,2,18,10,21,22,9,7,15,8,12,6,26,24/E:(8,9)(11,12)/rA:27nCCCCCNCNCCCNCCNCCCCCCCCOCOC/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;s6d9;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:8.35712
Area:568.543
Solvation:-5.85646
Coulombic:-38.6725
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:1.81
LogP (Chemaxon):2.48

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Descriptor Annotations

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