N-{4-[(4-bromo-3-methylphenyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-{4-[(4-bromo-3-methylphenyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-{4-[(4-bromo-3-methylphenyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0143 |
| Compound Name: | N-{4-[(4-bromo-3-methylphenyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 433.32 |
| Molecular Formula: | C19 H17 Br N2 O3 S |
| Smiles: | Cc1cc(ccc1[Br])NC(c1ccc(cc1)NC(C1=CSCCO1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8732 |
| logD: | 3.7093 |
| logSw: | -4.056 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.05 |
| InChI Key: | YGZPWNTULDQNOK-UHFFFAOYSA-N |