methyl 2-[2-(3-bromoanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(3-bromoanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
methyl 2-[2-(3-bromoanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
Compound characteristics
| Compound ID: | S342-0933 |
| Compound Name: | methyl 2-[2-(3-bromoanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate |
| Molecular Weight: | 416.25 |
| Molecular Formula: | C14 H14 Br N3 O5 S |
| Smiles: | CC1C(=CN(CC(Nc2cccc(c2)[Br])=O)S(N=1)(=O)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.484 |
| logD: | 1.4839 |
| logSw: | -2.5622 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.822 |
| InChI Key: | AODOBSHHXBHJNY-UHFFFAOYSA-N |