ChemDB: Chemical Search
Download
Chemical ID: 3865213
Chemical ID:
3865213
Name [?]:
N-cyclopentyl-8-(4-methoxyphenyl)-4-methyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
Cc1ccc2nc(c(n2c1)NC3CCCC3)c4ccc(cc4)OC
InChi [?]:
InChI=1/C20H23N3O/c1-14-7-12-18-22-19(15-8-10-17(24-2)11-9-15)20(23(18)13-14)21-16-5-3-4-6-16/h7-13,16,21H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,14,15,13,16,3,18,22,19,21,4,10,2,17,12,20,5,7,8,11,6,9,23/E:(3,4)(5,6)(8,9)(10,11)/rA:24nCCCCCNCCNCNCCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;s6;d7;s5s8;d2s9;s8;s11;s12;s13;s14;s12s15;s7;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N3O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2579 |
Area: | 523.762 |
Solvation: | -2.83614 |
Coulombic: | -32.4268 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 321.416 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.4 |
LogP (Chemaxon): | 4.34 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|