ChemDB: Chemical Search
Download
Chemical ID: 7724883
Chemical ID:
7724883
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C(F)(F)F)NC(=O)CSc2ccc3nnc(n3n2)c4cccs4
InChi [?]:
InChI=1/C18H12F3N5OS2/c19-18(20,21)11-4-1-2-5-12(11)22-15(27)10-29-16-8-7-14-23-24-17(26(14)25-16)13-6-3-9-28-13/h1-9H,10H2,(H,22,27)
InChi Info:
AuxInfo=1/1/N:1,2,27,6,3,26,18,17,28,14,5,4,25,19,12,16,22,7,8,9,10,11,20,21,24,23,13,29,15/E:(19,20,21)/rA:29nCCCCCCCFFFNCOCSCCCCNNCNNCCCCS/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s4;s11;d12;s12;s14;s15;s16;d17;s18;d19;s20;d21;s19s22;d16s23;s22;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12F3N5OS2 |
All Atoms: | 41 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.4704 |
Area: | 595.491 |
Solvation: | -3.41691 |
Coulombic: | -51.6999 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.28 |
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 |
---|