Chemical ID: 5928903

Cc1ccc2nc(c(n2c1)NC(C)(C)CC(C)(C)C)c3cc(ccc3OC)OC
Chemical ID:
5928903
Name [?]:
8-(2,5-dimethoxyphenyl)-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)c3cc(ccc3OC)OC
InChi [?]:
InChI=1/C24H33N3O2/c1-16-9-12-20-25-21(18-13-17(28-7)10-11-19(18)29-8)22(27(20)14-16)26-24(5,6)15-23(2,3)4/h9-14,26H,15H2,1-8H3
InChi Info:
AuxInfo=1/0/N:1,17,18,19,13,14,29,27,3,23,24,4,21,10,15,2,22,20,25,5,7,8,16,12,6,11,9,28,26/E:(2,3,4)(5,6)/rA:29nCCCCCNCCNCNCCCCCCCCCCCCCCOCOC/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;s25;s26;s22;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H33N3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.53995
Area:564.325
Solvation:-4.56818
Coulombic:-38.4453
Bond Count [?]
All:31
Single:24
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:395.538
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.4
LogP (Chemaxon):5.36

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Descriptor Annotations

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