N-(4-{[(3-fluorophenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(4-{[(3-fluorophenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(4-{[(3-fluorophenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1707 |
| Compound Name: | N-(4-{[(3-fluorophenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 386.44 |
| Molecular Formula: | C20 H19 F N2 O3 S |
| Smiles: | CC1=C(C(Nc2ccc(cc2)C(NCc2cccc(c2)F)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.3885 |
| logD: | 2.0792 |
| logSw: | -2.8532 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.014 |
| InChI Key: | AWCCNSBMUKCDKN-UHFFFAOYSA-N |