N-{5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-{5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-{5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-1360 |
| Compound Name: | N-{5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 451.59 |
| Molecular Formula: | C25 H29 N3 O3 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(c1ccc(C)c(c1)NC(C1=CSCCO1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7692 |
| logD: | 3.7682 |
| logSw: | -3.8919 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.868 |
| InChI Key: | JDVABSURAGPHGI-UHFFFAOYSA-N |