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Chemical ID: 3861726
Chemical ID:
3861726
Name [?]:
N-cyclohexyl-4-methyl-8-phenyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
Cc1ccc2nc(c(n2c1)NC3CCCCC3)c4ccccc4
InChi [?]:
InChI=1/C20H23N3/c1-15-12-13-18-22-19(16-8-4-2-5-9-16)20(23(18)14-15)21-17-10-6-3-7-11-17/h2,4-5,8-9,12-14,17,21H,3,6-7,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,15,20,22,14,16,19,23,13,17,3,4,10,2,18,12,5,7,8,11,6,9/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCCCCNCCNCNCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s5s8;d2s9;s8;s11;s12;s13;s14;s15;s12s16;s7;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9988 |
Area: | 502.161 |
Solvation: | -1.5552 |
Coulombic: | -26.569 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 305.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.05 |
LogP (Chemaxon): | 4.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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