N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0117 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 412.46 |
| Molecular Formula: | C21 H20 N2 O5 S |
| Smiles: | CC1=C(C(Nc2ccccc2C(NCc2ccc3c(c2)OCO3)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.3636 |
| logD: | 2.0918 |
| logSw: | -3.1171 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.431 |
| InChI Key: | GSTFSTYGEKLHSN-UHFFFAOYSA-N |