2-methyl-N-[3-(propylcarbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-[3-(propylcarbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-[3-(propylcarbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0959 |
| Compound Name: | 2-methyl-N-[3-(propylcarbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 320.41 |
| Molecular Formula: | C16 H20 N2 O3 S |
| Smiles: | CCCNC(c1cccc(c1)NC(C1=C(C)OCCS1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7511 |
| logD: | 1.7442 |
| logSw: | -2.7145 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.127 |
| InChI Key: | JGDKFAMEWWFUBW-UHFFFAOYSA-N |