methyl [4-(3-fluoro-4-methylphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetate
Chemical Structure Depiction of
methyl [4-(3-fluoro-4-methylphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetate
methyl [4-(3-fluoro-4-methylphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetate
Compound characteristics
| Compound ID: | P799-0594 |
| Compound Name: | methyl [4-(3-fluoro-4-methylphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetate |
| Molecular Weight: | 379.36 |
| Molecular Formula: | C16 H14 F N3 O5 S |
| Smiles: | Cc1ccc(cc1F)N1C(N(CC(=O)OC)S(c2cccnc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6244 |
| logD: | 1.6244 |
| logSw: | -2.4021 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.529 |
| InChI Key: | MIUKQRMTDNUYQT-UHFFFAOYSA-N |