N-(5-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}-2-methylphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(5-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}-2-methylphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(5-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}-2-methylphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1413 |
| Compound Name: | N-(5-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}-2-methylphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 491.4 |
| Molecular Formula: | C22 H23 Br N2 O4 S |
| Smiles: | CC1=C(C(Nc2cc(ccc2C)C(NCc2cc(ccc2OC)[Br])=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.3981 |
| logD: | 3.3864 |
| logSw: | -3.6083 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.946 |
| InChI Key: | DSJYIMICZBATJV-UHFFFAOYSA-N |