3-({4-[3-(methylsulfanyl)phenyl]-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl}methyl)benzonitrile
Chemical Structure Depiction of
3-({4-[3-(methylsulfanyl)phenyl]-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl}methyl)benzonitrile
3-({4-[3-(methylsulfanyl)phenyl]-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | P799-0372 |
| Compound Name: | 3-({4-[3-(methylsulfanyl)phenyl]-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl}methyl)benzonitrile |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C21 H16 N4 O3 S2 |
| Smiles: | CSc1cccc(c1)N1C(N(Cc2cccc(C#N)c2)S(c2cccnc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9104 |
| logD: | 2.9104 |
| logSw: | -3.4153 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.735 |
| InChI Key: | CFJDARGIJKADLA-UHFFFAOYSA-N |