ChemDB: Chemical Search
Download
Chemical ID: 7727404
Chemical ID:
7727404
Name [?]:
None
SMILES [?]:
CCn1c(=O)c2c(nc1SCC(=O)Nc3cccc(c3)F)CCS2
InChi [?]:
InChI=1/C16H16FN3O2S2/c1-2-20-15(22)14-12(6-7-23-14)19-16(20)24-9-13(21)18-11-5-3-4-10(17)8-11/h3-5,8H,2,6-7,9H2,1H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,2,17,18,16,22,23,20,11,19,15,7,12,6,4,9,21,14,8,3,13,5,24,10/rA:24nCCNCOCCNCSCCONCCCCCCFCCS/rB:s1;s2;s3;d4;s4;d6;s7;s3d8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s7;s22;s6s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16FN3O2S2 |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.50235 |
Area: | 547.809 |
Solvation: | -4.19287 |
Coulombic: | -46.408 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.75 |
LogP (Chemaxon): | None |
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 |
---|