N-{5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-{5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-{5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1148 |
| Compound Name: | N-{5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C26 H31 N3 O3 S |
| Smiles: | CC1=C(C(Nc2cc(ccc2C)C(N2CCN(CC2)c2cc(C)ccc2C)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.6291 |
| logD: | 3.6269 |
| logSw: | -3.8656 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.51 |
| InChI Key: | RJUUYIMVPQUCAA-UHFFFAOYSA-N |