methyl 4-(4-bromophenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Chemical Structure Depiction of
methyl 4-(4-bromophenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
methyl 4-(4-bromophenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Compound characteristics
| Compound ID: | G917-0048 |
| Compound Name: | methyl 4-(4-bromophenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate |
| Molecular Weight: | 394.24 |
| Molecular Formula: | C16 H12 Br N O4 S |
| Smiles: | COC(C1=CN(c2ccc(cc2)[Br])c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8041 |
| logD: | 2.8041 |
| logSw: | -3.3655 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.124 |
| InChI Key: | XKJQPMGOMWVIFP-UHFFFAOYSA-N |