dimethyl ({[(2-chlorophenyl)carbamothioyl][(2,4,6-trifluorophenyl)methyl]amino}methyl)phosphonate
Chemical Structure Depiction of
dimethyl ({[(2-chlorophenyl)carbamothioyl][(2,4,6-trifluorophenyl)methyl]amino}methyl)phosphonate
dimethyl ({[(2-chlorophenyl)carbamothioyl][(2,4,6-trifluorophenyl)methyl]amino}methyl)phosphonate
Compound characteristics
| Compound ID: | K784-6981 |
| Compound Name: | dimethyl ({[(2-chlorophenyl)carbamothioyl][(2,4,6-trifluorophenyl)methyl]amino}methyl)phosphonate |
| Molecular Weight: | 452.82 |
| Molecular Formula: | C17 H17 Cl F3 N2 O3 P S |
| Smiles: | COP(CN(Cc1c(cc(cc1F)F)F)C(Nc1ccccc1[Cl])=S)(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7406 |
| logD: | 3.7406 |
| logSw: | -4.0136 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.668 |
| InChI Key: | SHIKRPIEHTYLRK-UHFFFAOYSA-N |