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Chemical ID: 5928890
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
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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