N-(2-chloro-4-{[(4-fluorophenyl)methyl]carbamoyl}-5-methoxyphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(2-chloro-4-{[(4-fluorophenyl)methyl]carbamoyl}-5-methoxyphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(2-chloro-4-{[(4-fluorophenyl)methyl]carbamoyl}-5-methoxyphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2876 |
| Compound Name: | N-(2-chloro-4-{[(4-fluorophenyl)methyl]carbamoyl}-5-methoxyphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 450.91 |
| Molecular Formula: | C21 H20 Cl F N2 O4 S |
| Smiles: | CC1=C(C(Nc2cc(c(cc2[Cl])C(NCc2ccc(cc2)F)=O)OC)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.87 |
| logD: | 0.9895 |
| logSw: | -4.2468 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.946 |
| InChI Key: | CZQYGFAVISSQME-UHFFFAOYSA-N |