N-{2-[(4-bromophenyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-{2-[(4-bromophenyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-{2-[(4-bromophenyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0885 |
| Compound Name: | N-{2-[(4-bromophenyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 419.29 |
| Molecular Formula: | C18 H15 Br N2 O3 S |
| Smiles: | C1CSC=C(C(Nc2ccccc2C(Nc2ccc(cc2)[Br])=O)=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.4608 |
| logD: | 3.4336 |
| logSw: | -3.922 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.352 |
| InChI Key: | PXQAGHLTXHGYJA-UHFFFAOYSA-N |