N-(3-{[(2-bromophenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(3-{[(2-bromophenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(3-{[(2-bromophenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1120 |
| Compound Name: | N-(3-{[(2-bromophenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 447.35 |
| Molecular Formula: | C20 H19 Br N2 O3 S |
| Smiles: | CC1=C(C(Nc2cccc(c2)C(NCc2ccccc2[Br])=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.3973 |
| logD: | 3.3905 |
| logSw: | -3.6427 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.014 |
| InChI Key: | DDCNQWZLMZMOKH-UHFFFAOYSA-N |