ChemDB: Chemical Search
Download
Chemical ID: 4928964
Chemical ID:
4928964
Name [?]:
4-cyclohexylamino-8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
SMILES [?]:
CN1CCC2(CC1)C(=NC(=O)N2c3ccccc3)NC4CCCCC4
InChi [?]:
InChI=1/C20H28N4O/c1-23-14-12-20(13-15-23)18(21-16-8-4-2-5-9-16)22-19(25)24(20)17-10-6-3-7-11-17/h3,6-7,10-11,16H,2,4-5,8-9,12-15H2,1H3,(H,21,22,25)
InChi Info:
AuxInfo=1/1/N:1,23,16,22,24,15,17,21,25,14,18,4,6,3,7,20,13,8,10,5,19,9,2,12,11/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:25nCNCCCCCCNCONCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s9;d10;s5s10;s12;s13;d14;s15;d16;d13s17;s8;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H28N4O |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9917 |
Area: | 521.616 |
Solvation: | -2.04867 |
Coulombic: | -43.9879 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 340.463 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.4 |
LogP (Chemaxon): | 2.68 |
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 |
---|