N-{2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-{2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-{2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0719 |
| Compound Name: | N-{2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C22 H22 F N3 O3 S |
| Smiles: | C1CN(CCN1C(c1ccccc1NC(C1=CSCCO1)=O)=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.8479 |
| logD: | 2.3167 |
| logSw: | -3.7056 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.169 |
| InChI Key: | HCQKKAPSYUEBQX-UHFFFAOYSA-N |