3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]-1,2-oxazole-4-carboxamide
Chemical Structure Depiction of
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]-1,2-oxazole-4-carboxamide
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]-1,2-oxazole-4-carboxamide
Compound characteristics
| Compound ID: | 5310-3914 |
| Compound Name: | 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]-1,2-oxazole-4-carboxamide |
| Molecular Weight: | 413.87 |
| Molecular Formula: | C16 H13 Cl F N3 O3 S2 |
| Smiles: | Cc1c(C(NC(NC2CCSC2=O)=S)=O)c(c2c(cccc2[Cl])F)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3427 |
| logD: | 2.341 |
| logSw: | -3.4802 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.076 |
| InChI Key: | CWQLNWPTDZFLGX-JTQLQIEISA-N |