N-(2-{[(pyridin-3-yl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(2-{[(pyridin-3-yl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(2-{[(pyridin-3-yl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0742 |
| Compound Name: | N-(2-{[(pyridin-3-yl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 355.41 |
| Molecular Formula: | C18 H17 N3 O3 S |
| Smiles: | C(c1cccnc1)NC(c1ccccc1NC(C1=CSCCO1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3629 |
| logD: | 1.2216 |
| logSw: | -1.8914 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.192 |
| InChI Key: | DCRUCRJSBINZLR-UHFFFAOYSA-N |