N-(4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2026 |
| Compound Name: | N-(4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 455.55 |
| Molecular Formula: | C24 H26 F N3 O3 S |
| Smiles: | CC1=C(C(Nc2ccc(CC(N3CCN(CC3)c3ccccc3F)=O)cc2)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.7327 |
| logD: | 2.7301 |
| logSw: | -3.2775 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.681 |
| InChI Key: | OPBAXTBVPCPVNV-UHFFFAOYSA-N |