N-{4-[({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-{4-[({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-{4-[({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2319 |
| Compound Name: | N-{4-[({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 497.63 |
| Molecular Formula: | C27 H32 F N3 O3 S |
| Smiles: | CC1=C(C(Nc2ccc(cc2)C(NCC2CCN(CC2)CCc2ccc(cc2)F)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.1327 |
| logD: | 3.1327 |
| logSw: | -3.4553 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.725 |
| InChI Key: | BYIGTTJLAAMXBP-UHFFFAOYSA-N |