N-(5-{[(4-fluorophenyl)methyl]carbamoyl}-2-methylphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(5-{[(4-fluorophenyl)methyl]carbamoyl}-2-methylphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(5-{[(4-fluorophenyl)methyl]carbamoyl}-2-methylphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1278 |
| Compound Name: | N-(5-{[(4-fluorophenyl)methyl]carbamoyl}-2-methylphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 400.47 |
| Molecular Formula: | C21 H21 F N2 O3 S |
| Smiles: | CC1=C(C(Nc2cc(ccc2C)C(NCc2ccc(cc2)F)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.5339 |
| logD: | 2.5221 |
| logSw: | -2.8542 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.316 |
| InChI Key: | ZLGZHLVNMPLPJY-UHFFFAOYSA-N |