{4-[4-(methylsulfanyl)phenyl]-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-(methylsulfanyl)phenyl]-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl}acetonitrile
{4-[4-(methylsulfanyl)phenyl]-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: | P799-0383 |
| Compound Name: | {4-[4-(methylsulfanyl)phenyl]-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl}acetonitrile |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C15 H12 N4 O3 S2 |
| Smiles: | CSc1ccc(cc1)N1C(N(CC#N)S(c2cccnc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6562 |
| logD: | 1.6562 |
| logSw: | -2.2938 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.42 |
| InChI Key: | OUBNVOMBEXHDCA-UHFFFAOYSA-N |