N-(3-chloro-4-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(3-chloro-4-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1854 |
| Compound Name: | N-(3-chloro-4-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 420.89 |
| Molecular Formula: | C20 H18 Cl F N2 O3 S |
| Smiles: | CC1=C(C(Nc2ccc(C(NCc3ccc(cc3)F)=O)c(c2)[Cl])=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.3309 |
| logD: | 1.4302 |
| logSw: | -3.7786 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.014 |
| InChI Key: | MDUPVCGUYJHVNW-UHFFFAOYSA-N |