N-(4-chlorophenyl)-2-methyl-N-[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-methyl-N-[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(4-chlorophenyl)-2-methyl-N-[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E857-2788 |
| Compound Name: | N-(4-chlorophenyl)-2-methyl-N-[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 463.02 |
| Molecular Formula: | C22 H23 Cl N2 O3 S2 |
| Smiles: | CC1=C(C(N(CC(NCc2ccc(cc2)SC)=O)c2ccc(cc2)[Cl])=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.8786 |
| logD: | 3.8786 |
| logSw: | -4.317 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.332 |
| InChI Key: | PZBFMWUHIHYYRZ-UHFFFAOYSA-N |