N-[5-(benzylcarbamoyl)-2-methylphenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[5-(benzylcarbamoyl)-2-methylphenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[5-(benzylcarbamoyl)-2-methylphenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1207 |
| Compound Name: | N-[5-(benzylcarbamoyl)-2-methylphenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C21 H22 N2 O3 S |
| Smiles: | CC1=C(C(Nc2cc(ccc2C)C(NCc2ccccc2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.5048 |
| logD: | 2.4931 |
| logSw: | -2.9264 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.316 |
| InChI Key: | LMVPEVISQMIYCS-UHFFFAOYSA-N |