N-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-methylbutyl)-1,1,3-trioxo-1,2,3,4-tetrahydro-1lambda~6~,4-benzothiazine-7-carboxamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-methylbutyl)-1,1,3-trioxo-1,2,3,4-tetrahydro-1lambda~6~,4-benzothiazine-7-carboxamide
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-methylbutyl)-1,1,3-trioxo-1,2,3,4-tetrahydro-1lambda~6~,4-benzothiazine-7-carboxamide
Compound characteristics
| Compound ID: | G117-0578 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-methylbutyl)-1,1,3-trioxo-1,2,3,4-tetrahydro-1lambda~6~,4-benzothiazine-7-carboxamide |
| Molecular Weight: | 509.42 |
| Molecular Formula: | C22 H25 Br N2 O5 S |
| Smiles: | CC(C)CCN1C(CS(c2cc(ccc12)C(NCc1cc(ccc1OC)[Br])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8078 |
| logD: | 3.8077 |
| logSw: | -4.0383 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.438 |
| InChI Key: | WZVGGKVCBGVOHA-UHFFFAOYSA-N |