2-methyl-N-(4-{[3-(piperidin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-(4-{[3-(piperidin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-(4-{[3-(piperidin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1628 |
| Compound Name: | 2-methyl-N-(4-{[3-(piperidin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 403.54 |
| Molecular Formula: | C21 H29 N3 O3 S |
| Smiles: | CC1=C(C(Nc2ccc(cc2)C(NCCCN2CCCCC2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 1.5269 |
| logD: | 1.5269 |
| logSw: | -2.5908 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.838 |
| InChI Key: | CFVWKQJFQWBGLT-UHFFFAOYSA-N |