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Chemical ID: 5928850
Chemical ID:
5928850
Name [?]:
8-(4-methoxyphenyl)-2,4-dimethyl-N-(1,1,3,3-tetramethylbutyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
Cc1cc(n2c(c1)nc(c2NC(C)(C)CC(C)(C)C)c3ccc(cc3)OC)C
InChi [?]:
InChI=1/C24H33N3O/c1-16-13-17(2)27-20(14-16)25-21(18-9-11-19(28-8)12-10-18)22(27)26-24(6,7)15-23(3,4)5/h9-14,26H,15H2,1-8H3
InChi Info:
AuxInfo=1/0/N:1,28,17,18,19,13,14,27,21,25,22,24,3,7,15,2,4,20,23,6,9,10,16,12,8,11,5,26/E:(3,4,5)(6,7)(9,10)(11,12)/rA:28nCCCCNCCNCCNCCCCCCCCCCCCCCOCC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;s12;s12;s12;s15;s16;s16;s16;s9;s20;d21;s22;d23;d20s24;s23;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H33N3O |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6644 |
Area: | 542.073 |
Solvation: | -2.88741 |
Coulombic: | -32.7409 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 379.538 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.93 |
LogP (Chemaxon): | 5.63 |
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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