2-methyl-N-[2-methyl-5-(pyrrolidine-1-carbonyl)phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-[2-methyl-5-(pyrrolidine-1-carbonyl)phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-[2-methyl-5-(pyrrolidine-1-carbonyl)phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1144 |
| Compound Name: | 2-methyl-N-[2-methyl-5-(pyrrolidine-1-carbonyl)phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C18 H22 N2 O3 S |
| Smiles: | CC1=C(C(Nc2cc(ccc2C)C(N2CCCC2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 1.5486 |
| logD: | 1.5463 |
| logSw: | -2.6815 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.917 |
| InChI Key: | MCJVHRRDJWUODB-UHFFFAOYSA-N |