N-{2-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-{2-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-{2-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0705 |
| Compound Name: | N-{2-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(c1ccccc1NC(C1=CSCCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5772 |
| logD: | 3.046 |
| logSw: | -3.7071 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.388 |
| InChI Key: | UBIURSYLNRJNDN-SFHVURJKSA-N |