N-{4-[(3-methoxypropyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-{4-[(3-methoxypropyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-{4-[(3-methoxypropyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1591 |
| Compound Name: | N-{4-[(3-methoxypropyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 350.43 |
| Molecular Formula: | C17 H22 N2 O4 S |
| Smiles: | CC1=C(C(Nc2ccc(cc2)C(NCCCOC)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 0.9168 |
| logD: | 0.6075 |
| logSw: | -2.3358 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.469 |
| InChI Key: | AVQYWOQXEZTTTI-UHFFFAOYSA-N |