N-(2-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(2-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(2-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0966 |
| Compound Name: | N-(2-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 463.35 |
| Molecular Formula: | C20 H19 Br N2 O4 S |
| Smiles: | COc1ccc(cc1CNC(c1ccccc1NC(C1=CSCCO1)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.4839 |
| logD: | 3.3427 |
| logSw: | -3.7687 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.304 |
| InChI Key: | ZCIRRTUNHKLDGF-UHFFFAOYSA-N |