N-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2-methylphenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2-methylphenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2-methylphenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-1450 |
| Compound Name: | N-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2-methylphenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 412.46 |
| Molecular Formula: | C21 H20 N2 O5 S |
| Smiles: | Cc1ccc(cc1NC(C1=CSCCO1)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.558 |
| logD: | 2.5527 |
| logSw: | -2.9056 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.789 |
| InChI Key: | GJVZMEQYROYMHD-UHFFFAOYSA-N |