N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-3-chlorophenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-3-chlorophenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-3-chlorophenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1819 |
| Compound Name: | N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-3-chlorophenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 446.91 |
| Molecular Formula: | C21 H19 Cl N2 O5 S |
| Smiles: | CC1=C(C(Nc2ccc(C(NCc3ccc4c(c3)OCO4)=O)c(c2)[Cl])=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.2149 |
| logD: | 1.3142 |
| logSw: | -3.6946 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.129 |
| InChI Key: | FBNZCKVSSQBXOW-UHFFFAOYSA-N |