2-methyl-N-{4-[2-({2-[4-(methylsulfanyl)phenyl]ethyl}amino)-2-oxoethyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-{4-[2-({2-[4-(methylsulfanyl)phenyl]ethyl}amino)-2-oxoethyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-{4-[2-({2-[4-(methylsulfanyl)phenyl]ethyl}amino)-2-oxoethyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2235 |
| Compound Name: | 2-methyl-N-{4-[2-({2-[4-(methylsulfanyl)phenyl]ethyl}amino)-2-oxoethyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 442.6 |
| Molecular Formula: | C23 H26 N2 O3 S2 |
| Smiles: | CC1=C(C(Nc2ccc(CC(NCCc3ccc(cc3)SC)=O)cc2)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.6038 |
| logD: | 2.6013 |
| logSw: | -3.1248 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.642 |
| InChI Key: | YOVDVCJSHJOTEV-UHFFFAOYSA-N |