2-methyl-N-(4-{[(2-methylphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-(4-{[(2-methylphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-(4-{[(2-methylphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1703 |
| Compound Name: | 2-methyl-N-(4-{[(2-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(Nc2ccc(cc2)C(NCc2ccccc2C)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.1124 |
| logD: | 2.8031 |
| logSw: | -3.2932 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.014 |
| InChI Key: | NIPBFZUXRNZRBR-UHFFFAOYSA-N |