[4-(4-fluoro-3-methylphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetonitrile
Chemical Structure Depiction of
[4-(4-fluoro-3-methylphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetonitrile
[4-(4-fluoro-3-methylphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetonitrile
Compound characteristics
| Compound ID: | P799-0615 |
| Compound Name: | [4-(4-fluoro-3-methylphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetonitrile |
| Molecular Weight: | 346.34 |
| Molecular Formula: | C15 H11 F N4 O3 S |
| Smiles: | Cc1cc(ccc1F)N1C(N(CC#N)S(c2cccnc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5398 |
| logD: | 1.5398 |
| logSw: | -2.318 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.42 |
| InChI Key: | YADJVEJIPUIWIB-UHFFFAOYSA-N |