ChemDB: Chemical Search
Download
Chemical ID: 5456611
Chemical ID:
5456611
Name [?]:
5-methyl-1-[3-(4-tert-butylphenoxy)propyl]indoline-2,3-dione
SMILES [?]:
Cc1ccc2c(c1)C(=O)C(=O)N2CCCOc3ccc(cc3)C(C)(C)C
InChi [?]:
InChI=1/C22H25NO3/c1-15-6-11-19-18(14-15)20(24)21(25)23(19)12-5-13-26-17-9-7-16(8-10-17)22(2,3)4/h6-11,14H,5,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,25,26,14,3,19,21,18,22,4,13,15,7,2,20,17,6,5,8,10,23,12,9,11,16/E:(2,3,4)(7,8)(9,10)/rA:26nCCCCCCCCOCONCCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s10;s12;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s20;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25NO3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1417 |
Area: | 594.463 |
Solvation: | -3.71987 |
Coulombic: | -36.7188 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 351.439 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.07 |
LogP (Chemaxon): | 4.64 |
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 |
---|