N-{4-[(butan-2-yl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-{4-[(butan-2-yl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-{4-[(butan-2-yl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0072 |
| Compound Name: | N-{4-[(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(c1ccc(cc1)NC(C1=CSCCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6443 |
| logD: | 1.4804 |
| logSw: | -2.5302 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.085 |
| InChI Key: | MXCMOCGDYFREFT-NSHDSACASA-N |