[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2,5-dimethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
Chemical Structure Depiction of
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2,5-dimethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2,5-dimethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
Compound characteristics
| Compound ID: | S342-0431 |
| Compound Name: | [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2,5-dimethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate |
| Molecular Weight: | 441.26 |
| Molecular Formula: | C15 H13 Br N4 O5 S |
| Smiles: | CC1C(=CN(C)S(N=1)(=O)=O)C(=O)OCc1nc(c2cccc(c2)[Br])no1 |
| Stereo: | ACHIRAL |
| logP: | 2.2831 |
| logD: | 2.2831 |
| logSw: | -2.7648 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 95.926 |
| InChI Key: | NITLSXAGNLMZDQ-UHFFFAOYSA-N |