ChemDB: Chemical Search
Download
Chemical ID: 4347586
Chemical ID:
4347586
Name [?]:
None
SMILES [?]:
CC1(CC2=C(C(Nc3cc(ccc3N2)C(=O)c4ccccc4)c5ccc(cc5)F)C(=O)C1)C
InChi [?]:
InChI=1/C28H25FN2O2/c1-28(2)15-23-25(24(32)16-28)26(17-8-11-20(29)12-9-17)31-22-14-19(10-13-21(22)30-23)27(33)18-6-4-3-5-7-18/h3-14,26,30-31H,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,33,20,19,21,18,22,24,28,11,25,27,12,9,3,32,23,17,10,26,13,8,4,30,5,6,15,2,29,14,7,31,16/E:(1,2)(4,5)(6,7)(8,9)(11,12)/rA:33cCCCCCCNCCCCCCNCOCCCCCCCCCCCCFCOCC/rB:s1;s2;s3;d4;s5;s6;s7;s8;d9;s10;d11;d8s12;s4s13;s10;d15;s15;s17;d18;s19;d20;d17s21;s6;s23;d24;s25;d26;d23s27;s26;s5;d30;s2s30;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H25FN2O2 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.9261 |
Area: | 632.277 |
Solvation: | -3.88085 |
Coulombic: | -45.8928 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 440.509 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.8 |
LogP (Chemaxon): | 5.06 |
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 |
---|