methyl 2-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
methyl 2-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Compound characteristics
| Compound ID: | F419-0021 |
| Compound Name: | methyl 2-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C25 H22 N2 O5 S2 |
| Smiles: | COC(C1=C(c2ccccc2)c2ccccc2S(N1CC(Nc1cccc(c1)SC)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6379 |
| logD: | 4.6379 |
| logSw: | -4.4722 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.724 |
| InChI Key: | JTIZCALPXKKTAJ-UHFFFAOYSA-N |