N-(4-chlorophenyl)-2-methyl-N-(2-oxo-2-{[(pyridin-3-yl)methyl]amino}ethyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-methyl-N-(2-oxo-2-{[(pyridin-3-yl)methyl]amino}ethyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(4-chlorophenyl)-2-methyl-N-(2-oxo-2-{[(pyridin-3-yl)methyl]amino}ethyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E857-2547 |
| Compound Name: | N-(4-chlorophenyl)-2-methyl-N-(2-oxo-2-{[(pyridin-3-yl)methyl]amino}ethyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 417.91 |
| Molecular Formula: | C20 H20 Cl N3 O3 S |
| Smiles: | CC1=C(C(N(CC(NCc2cccnc2)=O)c2ccc(cc2)[Cl])=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 1.9316 |
| logD: | 1.9291 |
| logSw: | -2.7943 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.849 |
| InChI Key: | VOYYVPVEUZIQRM-UHFFFAOYSA-N |