2-methyl-N-(2-{[(3-methylphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-(2-{[(3-methylphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-(2-{[(3-methylphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | C799-0507 |
| Compound Name: | 2-methyl-N-(2-{[(3-methylphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C21 H22 N2 O3 S |
| Smiles: | CC1=C(C(Nc2ccccc2C(NCc2cccc(C)c2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.139 |
| logD: | 2.8672 |
| logSw: | -3.5559 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.316 |
| InChI Key: | VATLAAWMYJVKSE-UHFFFAOYSA-N |