N-(4-chlorophenyl)-2-methyl-N-{2-[(2-methylcyclohexyl)amino]-2-oxoethyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-methyl-N-{2-[(2-methylcyclohexyl)amino]-2-oxoethyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(4-chlorophenyl)-2-methyl-N-{2-[(2-methylcyclohexyl)amino]-2-oxoethyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E857-2639 |
| Compound Name: | N-(4-chlorophenyl)-2-methyl-N-{2-[(2-methylcyclohexyl)amino]-2-oxoethyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 422.97 |
| Molecular Formula: | C21 H27 Cl N2 O3 S |
| Smiles: | CC1CCCCC1NC(CN(C(C1=C(C)OCCS1)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7482 |
| logD: | 3.7482 |
| logSw: | -4.184 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.447 |
| InChI Key: | JPFIYXXYXGKLDN-UHFFFAOYSA-N |