2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[4-(methylsulfanyl)phenyl]-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione
Chemical Structure Depiction of
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[4-(methylsulfanyl)phenyl]-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[4-(methylsulfanyl)phenyl]-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione
Compound characteristics
| Compound ID: | P799-0392 |
| Compound Name: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[4-(methylsulfanyl)phenyl]-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione |
| Molecular Weight: | 430.5 |
| Molecular Formula: | C19 H18 N4 O4 S2 |
| Smiles: | Cc1c(CN2C(N(c3ccc(cc3)SC)c3c(cccn3)S2(=O)=O)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.7354 |
| logD: | 2.7354 |
| logSw: | -3.0611 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.717 |
| InChI Key: | CTJLKWKLQZCMOC-UHFFFAOYSA-N |