ChemDB: Chemical Search
Download
Chemical ID: 7080494
Chemical ID:
7080494
Name [?]:
None
SMILES [?]:
CC(C)c1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC
InChi [?]:
InChI=1/C24H25NO4/c1-15(2)16-9-11-17(12-10-16)21-20-22(26)18-7-4-5-8-19(18)29-23(20)24(27)25(21)13-6-14-28-3/h4-5,7-12,15,21H,6,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,29,16,17,26,15,18,5,9,6,8,25,27,2,4,7,14,19,11,10,12,21,22,24,13,23,28,20/E:(1,2)(9,10)(11,12)/rA:29cCCCCCCCCCCCCOCCCCCCOCCONCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s21;d22;s10s22;s24;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25NO4 |
All Atoms: | 54 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0468 |
Area: | 624.264 |
Solvation: | -4.55978 |
Coulombic: | -44.324 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 391.46 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.99 |
LogP (Chemaxon): | 3.74 |
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 |
---|