N-[2-methyl-5-(pyrrolidine-1-carbonyl)phenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-[2-methyl-5-(pyrrolidine-1-carbonyl)phenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-[2-methyl-5-(pyrrolidine-1-carbonyl)phenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-1356 |
| Compound Name: | N-[2-methyl-5-(pyrrolidine-1-carbonyl)phenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 332.42 |
| Molecular Formula: | C17 H20 N2 O3 S |
| Smiles: | Cc1ccc(cc1NC(C1=CSCCO1)=O)C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6887 |
| logD: | 1.6877 |
| logSw: | -2.6213 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.275 |
| InChI Key: | AQERXBPUUHQWJT-UHFFFAOYSA-N |