methyl {4-[4-(methylsulfanyl)phenyl]-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-[4-(methylsulfanyl)phenyl]-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl}acetate
methyl {4-[4-(methylsulfanyl)phenyl]-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: | P799-0393 |
| Compound Name: | methyl {4-[4-(methylsulfanyl)phenyl]-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl}acetate |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C16 H15 N3 O5 S2 |
| Smiles: | COC(CN1C(N(c2ccc(cc2)SC)c2c(cccn2)S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6826 |
| logD: | 1.6826 |
| logSw: | -2.3476 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.529 |
| InChI Key: | ZAUIMIPWHKQSQM-UHFFFAOYSA-N |