methyl 6-bromo-4-(4-butylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Chemical Structure Depiction of
methyl 6-bromo-4-(4-butylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
methyl 6-bromo-4-(4-butylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
Compound characteristics
| Compound ID: | G917-0258 |
| Compound Name: | methyl 6-bromo-4-(4-butylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate |
| Molecular Weight: | 450.35 |
| Molecular Formula: | C20 H20 Br N O4 S |
| Smiles: | CCCCc1ccc(cc1)N1C=C(C(=O)OC)S(c2ccc(cc12)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9304 |
| logD: | 4.9304 |
| logSw: | -4.7147 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.124 |
| InChI Key: | IUBMMQVGGBAUMQ-UHFFFAOYSA-N |