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Chemical ID: 5928886
Chemical ID:
5928886
Name [?]:
8-(3,4-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)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C24H33N3O2/c1-16-9-12-20-25-21(17-10-11-18(28-7)19(13-17)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:1,17,18,19,13,14,29,27,3,21,22,4,25,10,15,2,20,23,24,5,7,8,16,12,6,11,9,28,26/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;s24;s26;s23;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H33N3O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.87235 |
Area: | 581.441 |
Solvation: | -4.66367 |
Coulombic: | -39.4683 |
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: | 6.13 |
LogP (Chemaxon): | 5.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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