N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0449 |
| Compound Name: | N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C20 H18 N2 O5 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1cccc(c1)NC(C1=CSCCO1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5784 |
| logD: | 2.5754 |
| logSw: | -3.0352 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.487 |
| InChI Key: | MAMCXEPHIZJVTM-UHFFFAOYSA-N |