2-methyl-N-{2-[(2-methylcyclohexyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-{2-[(2-methylcyclohexyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-{2-[(2-methylcyclohexyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0160 |
| Compound Name: | 2-methyl-N-{2-[(2-methylcyclohexyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 374.5 |
| Molecular Formula: | C20 H26 N2 O3 S |
| Smiles: | CC1CCCCC1NC(c1ccccc1NC(C1=C(C)OCCS1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.112 |
| logD: | 2.7014 |
| logSw: | -3.7176 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.431 |
| InChI Key: | JENLIBKCQPUVSS-UHFFFAOYSA-N |