N-{2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-{2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-{2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0019 |
| Compound Name: | N-{2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 451.59 |
| Molecular Formula: | C25 H29 N3 O3 S |
| Smiles: | CC1=C(C(Nc2ccccc2C(N2CCN(CC2)c2cccc(C)c2C)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.6808 |
| logD: | 2.8725 |
| logSw: | -3.9114 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.51 |
| InChI Key: | VRXPYWDPIKMVBK-UHFFFAOYSA-N |