N-[3-(cyclopentylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[3-(cyclopentylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[3-(cyclopentylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0927 |
| Compound Name: | N-[3-(cyclopentylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C18 H22 N2 O3 S |
| Smiles: | CC1=C(C(Nc2cccc(c2)C(NC2CCCC2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.4026 |
| logD: | 2.3958 |
| logSw: | -2.9297 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.105 |
| InChI Key: | XYKHYBVAZAOLQJ-UHFFFAOYSA-N |