N-(2-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(2-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(2-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0294 |
| Compound Name: | N-(2-{[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 477.38 |
| Molecular Formula: | C21 H21 Br N2 O4 S |
| Smiles: | CC1=C(C(Nc2ccccc2C(NCc2cc(ccc2OC)[Br])=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.3438 |
| logD: | 3.072 |
| logSw: | -3.7326 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.946 |
| InChI Key: | VRIIFIVVQYVGDE-UHFFFAOYSA-N |