2-methyl-N-{2-methyl-5-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-{2-methyl-5-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-{2-methyl-5-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1152 |
| Compound Name: | 2-methyl-N-{2-methyl-5-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C26 H31 N3 O3 S |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(c1ccc(C)c(c1)NC(C1=C(C)OCCS1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3511 |
| logD: | 3.3488 |
| logSw: | -3.4708 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.029 |
| InChI Key: | MCXPXUAQILJCHC-IBGZPJMESA-N |