N-{3-[(2,3-dimethylcyclohexyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-{3-[(2,3-dimethylcyclohexyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-{3-[(2,3-dimethylcyclohexyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0998 |
| Compound Name: | N-{3-[(2,3-dimethylcyclohexyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 388.53 |
| Molecular Formula: | C21 H28 N2 O3 S |
| Smiles: | CC1CCCC(C1C)NC(c1cccc(c1)NC(C1=C(C)OCCS1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9504 |
| logD: | 2.9436 |
| logSw: | -3.5041 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.129 |
| InChI Key: | MCYZFHKBOIVVFE-UHFFFAOYSA-N |