N-{3-[(butan-2-yl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-{3-[(butan-2-yl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-{3-[(butan-2-yl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0415 |
| Compound Name: | N-{3-[(butan-2-yl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 320.41 |
| Molecular Formula: | C16 H20 N2 O3 S |
| Smiles: | CCC(C)NC(c1cccc(c1)NC(C1=CSCCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9451 |
| logD: | 1.9421 |
| logSw: | -2.7586 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.085 |
| InChI Key: | ONMPYLMYGJXSIQ-NSHDSACASA-N |