N-{4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-{4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-{4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0039 |
| Compound Name: | N-{4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C23 H25 N3 O4 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(c1ccc(cc1)NC(C1=CSCCO1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5189 |
| logD: | 2.355 |
| logSw: | -2.8907 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.411 |
| InChI Key: | ARKVWPGLBFEQFY-UHFFFAOYSA-N |