N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0369 |
| Compound Name: | N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 402.9 |
| Molecular Formula: | C20 H19 Cl N2 O3 S |
| Smiles: | CC1=C(C(Nc2ccc(cc2C(NCc2ccccc2)=O)[Cl])=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.2434 |
| logD: | 1.4991 |
| logSw: | -3.7016 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.316 |
| InChI Key: | QEIRBIBPDQJSRE-UHFFFAOYSA-N |