ChemDB: Chemical Search
Download
Chemical ID: 7436422
Chemical ID:
7436422
Name [?]:
2-[4-(2-cyclohexylamino-4,4-dimethyl-6-oxo-1-cyclohexenyl)-4-oxo-butyl]isoindoline-1,3-dione
SMILES [?]:
CC1(CC(=C(C(=O)C1)C(=O)CCCN2C(=O)c3ccccc3C2=O)NC4CCCCC4)C
InChi [?]:
InChI=1/C26H32N2O4/c1-26(2)15-20(27-17-9-4-3-5-10-17)23(22(30)16-26)21(29)13-8-14-28-24(31)18-11-6-7-12-19(18)25(28)32/h6-7,11-12,17,27H,3-5,8-10,13-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,29,28,30,19,20,12,27,31,18,21,11,13,3,8,26,17,22,4,9,6,5,15,23,2,25,14,10,7,16,24/E:(1,2)(4,5)(6,7)(9,10)(11,12)(18,19)(24,25)(31,32)/rA:32nCCCCCCOCCOCCCNCOCCCCCCCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s2s6;s5;d9;s9;s11;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s14s22;d23;s4;s25;s26;s27;s28;s29;s26s30;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H32N2O4 |
All Atoms: | 64 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9319 |
Area: | 672.279 |
Solvation: | -3.8751 |
Coulombic: | -54.1616 |
Bond Count [?]
All: | 35 |
Single: | 27 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 436.543 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.44 |
LogP (Chemaxon): | 3.33 |
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 |
---|