ChemDB: Chemical Search
Download
Chemical ID: 4489189
Chemical ID:
4489189
Name [?]:
None
SMILES [?]:
CC(C)(C)c1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccccc5)F
InChi [?]:
InChI=1/C28H24FNO3/c1-28(2,3)19-11-9-18(10-12-19)24-23-25(31)21-15-20(29)13-14-22(21)33-26(23)27(32)30(24)16-17-7-5-4-6-8-17/h4-15,24H,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,30,29,31,28,32,7,9,6,10,18,19,16,26,27,8,5,17,15,20,12,11,13,22,23,2,33,25,14,24,21/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/rA:33cCCCCCCCCCCCCCOCCCCCCOCCONCCCCCCCF/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;s27;d28;s29;d30;d27s31;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H24FNO3 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.069 |
Area: | 648.084 |
Solvation: | -4.13308 |
Coulombic: | -41.0058 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 441.493 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.11 |
LogP (Chemaxon): | 6.2 |
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 |
---|