N-(4-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(4-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(4-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1689 |
| Compound Name: | N-(4-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C23 H24 N2 O5 S |
| Smiles: | CC(c1ccc2c(c1)OCCO2)NC(c1ccc(cc1)NC(C1=C(C)OCCS1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7516 |
| logD: | 1.4423 |
| logSw: | -2.7232 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71 |
| InChI Key: | KITJBLONNHXRRS-AWEZNQCLSA-N |