5-butyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione
Chemical Structure Depiction of
5-butyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione
5-butyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione
Compound characteristics
| Compound ID: | Y207-5578 |
| Compound Name: | 5-butyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione |
| Molecular Weight: | 301.81 |
| Molecular Formula: | C13 H17 Cl F N3 S |
| Smiles: | CCCCN1CNC(N(C1)c1ccc(c(c1)[Cl])F)=S |
| Stereo: | ACHIRAL |
| logP: | 3.8614 |
| logD: | 3.5578 |
| logSw: | -4.175 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 18.1823 |
| InChI Key: | OLRISUYEUZWHSA-UHFFFAOYSA-N |